1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine

C17H28ClNO — CID 115845070

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1cc(Cl)ccc1OC)NC
InChIInChI=1S/C17H28ClNO/c1-4-5-6-7-8-9-16(19-2)13-14-12-15(18)10-11-17(14)20-3/h10-12,16,19H,4-9,13H2,1-3H3
InChIKeyLXXDTKYBEWIRNS-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.84
Rot. Bonds10

About 1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine

1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine (PubChem CID 115845070) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
PubChem CID115845070
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1cc(Cl)ccc1OC)NC
InChIInChI=1S/C17H28ClNO/c1-4-5-6-7-8-9-16(19-2)13-14-12-15(18)10-11-17(14)20-3/h10-12,16,19H,4-9,13H2,1-3H3
InChIKeyLXXDTKYBEWIRNS-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.84
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

1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 112688271
1-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
1-(5-chloro-2-fluorophenyl)decan-2-ylhydrazine
CID 103053761
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
1-(5-chloro-2-fluorophenyl)octan-2-ylhydrazine
CID 103053822
1-(2,5-dichlorophenyl)undecan-2-ylhydrazine
CID 105309812
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105137424

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine (CID 115845070) is 1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine is CCCCCCCC(Cc1cc(Cl)ccc1OC)NC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine?
The InChIKey is LXXDTKYBEWIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-4-5-6-7-8-9-16(19-2)13-14-12-15(18)10-11-17(14)20-3/h10-12,16,19H,4-9,13H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine?
1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine has a molecular weight of 297.87 g/mol, XLogP of 4.84, 10 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-methylnonan-2-amine is sourced from PubChem (CID 115845070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).