2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine

C19H32ClN — CID 79433186

IUPAC2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine
SMILESCCCCCCCC(CNCC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C19H32ClN/c1-4-5-6-7-8-10-18(15-21-14-16(2)3)17-11-9-12-19(20)13-17/h9,11-13,16,18,21H,4-8,10,14-15H2,1-3H3
InChIKeyAUPULGKXHIVEFL-UHFFFAOYSA-N
MW309.93 g/mol
LogP6.03
Rot. Bonds11

About 2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine

2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine (PubChem CID 79433186) has the molecular formula C19H32ClN and a molecular weight of 309.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine
PubChem CID79433186
Molecular FormulaC19H32ClN
Molecular Weight309.93 g/mol
Exact Mass309.22
IUPAC Name2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine
SMILESCCCCCCCC(CNCC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C19H32ClN/c1-4-5-6-7-8-10-18(15-21-14-16(2)3)17-11-9-12-19(20)13-17/h9,11-13,16,18,21H,4-8,10,14-15H2,1-3H3
InChIKeyAUPULGKXHIVEFL-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.93
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79443619
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83039474
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
1-(3-chlorophenyl)undecan-1-amine
CID 63411961
1-(3-chlorophenyl)decan-1-amine
CID 63412045
N-[1-(3-chlorophenyl)ethyl]nonan-2-amine
CID 43129958
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
N-tert-butyl-2-(3-chlorophenyl)-6-methylheptan-1-amine
CID 83169178
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492270
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine (CID 79433186) is 2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine is CCCCCCCC(CNCC(C)C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine?
The InChIKey is AUPULGKXHIVEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN/c1-4-5-6-7-8-10-18(15-21-14-16(2)3)17-11-9-12-19(20)13-17/h9,11-13,16,18,21H,4-8,10,14-15H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine?
2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine has a molecular weight of 309.93 g/mol, XLogP of 6.03, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine is sourced from PubChem (CID 79433186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).