1-(4-chloro-3-methoxyphenyl)decan-1-amine

C17H28ClNO — CID 105006970

IUPAC1-(4-chloro-3-methoxyphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H28ClNO/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13,16H,3-10,19H2,1-2H3
InChIKeyBIQAXAOKRDKNNG-UHFFFAOYSA-N
MW297.87 g/mol
LogP5.49
Rot. Bonds10

About 1-(4-chloro-3-methoxyphenyl)decan-1-amine

1-(4-chloro-3-methoxyphenyl)decan-1-amine (PubChem CID 105006970) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)decan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)decan-1-amine
PubChem CID105006970
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-(4-chloro-3-methoxyphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H28ClNO/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13,16H,3-10,19H2,1-2H3
InChIKeyBIQAXAOKRDKNNG-UHFFFAOYSA-N
XLogP5.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.87
LogP ≤ 55.49
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

(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211107
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
(4S)-4-amino-4-(4-chloro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171230755
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
1-(3-bromo-4-chlorophenyl)octan-1-amine
CID 115566673

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)decan-1-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)decan-1-amine (CID 105006970) is 1-(4-chloro-3-methoxyphenyl)decan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)decan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)decan-1-amine is CCCCCCCCCC(N)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)decan-1-amine?
The InChIKey is BIQAXAOKRDKNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13,16H,3-10,19H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)decan-1-amine?
1-(4-chloro-3-methoxyphenyl)decan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)decan-1-amine is sourced from PubChem (CID 105006970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).