N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine

C21H33FN4O — CID 177179048

IUPACN'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)Cc1ccc(OC)cc1.CNCN(C)Cc1cccc(F)c1
InChIInChI=1S/C11H18N2O.C10H15FN2/c1-12-9-13(2)8-10-4-6-11(14-3)7-5-10;1-12-8-13(2)7-9-4-3-5-10(11)6-9/h4-7,12H,8-9H2,1-3H3;3-6,12H,7-8H2,1-2H3
InChIKeyBZMGMXVEQOFCNC-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.74
Rot. Bonds9

About N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine

N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine (PubChem CID 177179048) has the molecular formula C21H33FN4O and a molecular weight of 376.52 g/mol. Its IUPAC name is N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
PubChem CID177179048
Molecular FormulaC21H33FN4O
Molecular Weight376.52 g/mol
Exact Mass376.26
IUPAC NameN'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
SMILESCNCN(C)Cc1ccc(OC)cc1.CNCN(C)Cc1cccc(F)c1
InChIInChI=1S/C11H18N2O.C10H15FN2/c1-12-9-13(2)8-10-4-6-11(14-3)7-5-10;1-12-8-13(2)7-9-4-3-5-10(11)6-9/h4-7,12H,8-9H2,1-3H3;3-6,12H,7-8H2,1-2H3
InChIKeyBZMGMXVEQOFCNC-UHFFFAOYSA-N
XLogP2.74
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
CID 115226993
3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212239
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 2162791
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86912656
2-[[[(3-fluorophenyl)methyl-methylamino]-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111541834
2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 55986734
1-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-4-methoxybenzene
CID 66036179
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
The IUPAC name of N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine (CID 177179048) is N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine is CNCN(C)Cc1ccc(OC)cc1.CNCN(C)Cc1cccc(F)c1.
What is the InChIKey of N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
The InChIKey is BZMGMXVEQOFCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C10H15FN2/c1-12-9-13(2)8-10-4-6-11(14-3)7-5-10;1-12-8-13(2)7-9-4-3-5-10(11)6-9/h4-7,12H,8-9H2,1-3H3;3-6,12H,7-8H2,1-2H3.
What are the key properties of N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine?
N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine has a molecular weight of 376.52 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine is sourced from PubChem (CID 177179048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).