1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine

C17H27BrClNO — CID 65447812

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C17H27BrClNO/c1-3-4-5-6-7-8-9-10-16(20)14-11-13(19)12-15(18)17(14)21-2/h11-12,16H,3-10,20H2,1-2H3
InChIKeyFMZOGMBGUACFIF-UHFFFAOYSA-N
MW376.77 g/mol
LogP6.25
Rot. Bonds10

About 1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine

1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine (PubChem CID 65447812) has the molecular formula C17H27BrClNO and a molecular weight of 376.77 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
PubChem CID65447812
Molecular FormulaC17H27BrClNO
Molecular Weight376.77 g/mol
Exact Mass375.10
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C17H27BrClNO/c1-3-4-5-6-7-8-9-10-16(20)14-11-13(19)12-15(18)17(14)21-2/h11-12,16H,3-10,20H2,1-2H3
InChIKeyFMZOGMBGUACFIF-UHFFFAOYSA-N
XLogP6.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.77
LogP ≤ 56.25
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

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1-(3-bromo-5-chloro-2-methoxyphenyl)-2-methylpentan-1-ol
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(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
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1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
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3-bromo-5-chloro-2-ethoxy-N-nonan-2-ylaniline
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine (CID 65447812) is 1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine is CCCCCCCCCC(N)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine?
The InChIKey is FMZOGMBGUACFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrClNO/c1-3-4-5-6-7-8-9-10-16(20)14-11-13(19)12-15(18)17(14)21-2/h11-12,16H,3-10,20H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine?
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine has a molecular weight of 376.77 g/mol, XLogP of 6.25, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine is sourced from PubChem (CID 65447812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).