3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine

C16H25ClN2 — CID 62629736

IUPAC3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
SMILESNC(CCN1CCCCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c17-15-8-6-7-14(13-15)16(18)9-12-19-10-4-2-1-3-5-11-19/h6-8,13,16H,1-5,9-12,18H2
InChIKeyNVUGXBKSOOKJTA-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.00
Rot. Bonds4

About 3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine

3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine (PubChem CID 62629736) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
PubChem CID62629736
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
SMILESNC(CCN1CCCCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2/c17-15-8-6-7-14(13-15)16(18)9-12-19-10-4-2-1-3-5-11-19/h6-8,13,16H,1-5,9-12,18H2
InChIKeyNVUGXBKSOOKJTA-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
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
2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 44828758
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
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
3-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-amine
CID 82021669
1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
CID 71384087
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
1-(3-chlorophenyl)-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206628

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine (CID 62629736) is 3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine is NC(CCN1CCCCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine?
The InChIKey is NVUGXBKSOOKJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c17-15-8-6-7-14(13-15)16(18)9-12-19-10-4-2-1-3-5-11-19/h6-8,13,16H,1-5,9-12,18H2.
What are the key properties of 3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine?
3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 62629736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).