1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine

C15H24ClN3 — CID 62628874

IUPAC1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
SMILESCN1CCCN(CCC(N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3/c1-18-7-3-8-19(11-10-18)9-6-15(17)13-4-2-5-14(16)12-13/h2,4-5,12,15H,3,6-11,17H2,1H3
InChIKeyVFASVGAVUBGURK-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.37
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine

1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine (PubChem CID 62628874) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
PubChem CID62628874
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
SMILESCN1CCCN(CCC(N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3/c1-18-7-3-8-19(11-10-18)9-6-15(17)13-4-2-5-14(16)12-13/h2,4-5,12,15H,3,6-11,17H2,1H3
InChIKeyVFASVGAVUBGURK-UHFFFAOYSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62622896
1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81115610
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618540
1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63972223
1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112629124
2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 44828758
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62643582

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine (CID 62628874) is 1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine is CN1CCCN(CCC(N)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
The InChIKey is VFASVGAVUBGURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18-7-3-8-19(11-10-18)9-6-15(17)13-4-2-5-14(16)12-13/h2,4-5,12,15H,3,6-11,17H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine is sourced from PubChem (CID 62628874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).