1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine

C14H22F2N2 — CID 81490653

IUPAC1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H22F2N2/c1-10(2)14(17)6-7-18(3)9-11-4-5-12(15)13(16)8-11/h4-5,8,10,14H,6-7,9,17H2,1-3H3
InChIKeyMODACKLQDLXTQK-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.77
Rot. Bonds6

About 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 81490653) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID81490653
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H22F2N2/c1-10(2)14(17)6-7-18(3)9-11-4-5-12(15)13(16)8-11/h4-5,8,10,14H,6-7,9,17H2,1-3H3
InChIKeyMODACKLQDLXTQK-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
CID 82925317
3-[(3,4-difluorophenyl)methyl-methylamino]-2-methylpropanethioamide
CID 82918323
ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
CID 115226993
N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
CID 119659943
2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
CID 54869994
1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317239
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
2-[(3,4-difluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137602

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine (CID 81490653) is 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine is CC(C)C(N)CCN(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is MODACKLQDLXTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-10(2)14(17)6-7-18(3)9-11-4-5-12(15)13(16)8-11/h4-5,8,10,14H,6-7,9,17H2,1-3H3.
What are the key properties of 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 81490653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).