1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine

C14H23ClN2 — CID 61416822

IUPAC1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(N)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H23ClN2/c1-11(2)8-13(16)10-17(3)9-12-6-4-5-7-14(12)15/h4-7,11,13H,8-10,16H2,1-3H3
InChIKeyASWGPKQWVKFJMW-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.15
Rot. Bonds6

About 1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine

1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine (PubChem CID 61416822) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine
PubChem CID61416822
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(N)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H23ClN2/c1-11(2)8-13(16)10-17(3)9-12-6-4-5-7-14(12)15/h4-7,11,13H,8-10,16H2,1-3H3
InChIKeyASWGPKQWVKFJMW-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313039
1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine
CID 61424459
(2S)-1-[(2-chlorophenyl)methyl-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 756928
(2R)-1-[(2-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 756925
1-(2-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644408
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
4-[(2-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82777064
(2S)-2-[(2-chlorophenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067547
3-[(2-chlorophenyl)methyl-methylamino]-2-phenylpropanoic acid
CID 63075087
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644732

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine (CID 61416822) is 1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine is CC(C)CC(N)CN(C)Cc1ccccc1Cl.
What is the InChIKey of 1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine?
The InChIKey is ASWGPKQWVKFJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-11(2)8-13(16)10-17(3)9-12-6-4-5-7-14(12)15/h4-7,11,13H,8-10,16H2,1-3H3.
What are the key properties of 1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine?
1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 61416822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).