N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine

C13H21FN2 — CID 61413181

IUPACN'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-15-9-3-4-10-16(2)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyUZHQNTJTPWVODN-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.26
Rot. Bonds7

About N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine

N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine (PubChem CID 61413181) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
PubChem CID61413181
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-15-9-3-4-10-16(2)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyUZHQNTJTPWVODN-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
CID 119896354
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
N'-[(4-bromo-3-fluorophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 81436013
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803
N'-(1,3-benzodioxol-5-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202020
4-[(4-fluorophenyl)methyl-methylamino]butanal
CID 176696174
1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea
CID 11674321
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
6-[[methyl-[4-(methylamino)butyl]amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115202062
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine (CID 61413181) is N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine is CNCCCCN(C)Cc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is UZHQNTJTPWVODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-15-9-3-4-10-16(2)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine?
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 61413181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).