3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine

C13H21FN2 — CID 79414838

IUPAC3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine
SMILESCC(CN)C(C)N(C)Cc1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-10(8-15)11(2)16(3)9-12-5-4-6-13(14)7-12/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeySDGIRAJZIWRFII-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.24
Rot. Bonds5

About 3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine

3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine (PubChem CID 79414838) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine
PubChem CID79414838
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine
SMILESCC(CN)C(C)N(C)Cc1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-10(8-15)11(2)16(3)9-12-5-4-6-13(14)7-12/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeySDGIRAJZIWRFII-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225472
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211967
1-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43110178
1-(3,4-difluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211937
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 55089188
N-[(3-bromophenyl)methyl]-1-(3-fluorophenyl)-N-methylethane-1,2-diamine
CID 61415282
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
1-(1,3-dimethylpyrazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 83088744
1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 107519933
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042926

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine (CID 79414838) is 3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine is CC(CN)C(C)N(C)Cc1cccc(F)c1.
What is the InChIKey of 3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine?
The InChIKey is SDGIRAJZIWRFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10(8-15)11(2)16(3)9-12-5-4-6-13(14)7-12/h4-7,10-11H,8-9,15H2,1-3H3.
What are the key properties of 3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine?
3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 79414838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).