1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine

C16H24ClNO — CID 107011816

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H24ClNO/c1-4-5-6-7-8-9-15(18-2)14-12-13(17)10-11-16(14)19-3/h4,10-12,15,18H,1,5-9H2,2-3H3
InChIKeyGOSPVBCITAHQFL-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.75
Rot. Bonds9

About 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine

1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine (PubChem CID 107011816) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
PubChem CID107011816
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H24ClNO/c1-4-5-6-7-8-9-15(18-2)14-12-13(17)10-11-16(14)19-3/h4,10-12,15,18H,1,5-9H2,2-3H3
InChIKeyGOSPVBCITAHQFL-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949267
1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
CID 116948362
1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine
CID 104987543
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105140939
1-(5-chloro-2-methoxyphenyl)-4-methoxy-N-methylpentan-1-amine
CID 105140965
1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949835
2-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830604
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(3,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012370
1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine
CID 105065658

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine (CID 107011816) is 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine is C=CCCCCCC(NC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine?
The InChIKey is GOSPVBCITAHQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-4-5-6-7-8-9-15(18-2)14-12-13(17)10-11-16(14)19-3/h4,10-12,15,18H,1,5-9H2,2-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine?
1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine is sourced from PubChem (CID 107011816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).