N-[(2-chlorophenyl)methyl]nonan-2-amine

C16H26ClN — CID 43129766

IUPACN-[(2-chlorophenyl)methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCc1ccccc1Cl
InChIInChI=1S/C16H26ClN/c1-3-4-5-6-7-10-14(2)18-13-15-11-8-9-12-16(15)17/h8-9,11-12,14,18H,3-7,10,13H2,1-2H3
InChIKeyYARMTDWHGVLQTL-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.18
Rot. Bonds9

About N-[(2-chlorophenyl)methyl]nonan-2-amine

N-[(2-chlorophenyl)methyl]nonan-2-amine (PubChem CID 43129766) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]nonan-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]nonan-2-amine
PubChem CID43129766
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC NameN-[(2-chlorophenyl)methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCc1ccccc1Cl
InChIInChI=1S/C16H26ClN/c1-3-4-5-6-7-10-14(2)18-13-15-11-8-9-12-16(15)17/h8-9,11-12,14,18H,3-7,10,13H2,1-2H3
InChIKeyYARMTDWHGVLQTL-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.84
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]nonan-2-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

(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
(3R)-3-[(2-chlorophenyl)methylamino]butan-1-ol
CID 103854781
N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
CID 43220747
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine
CID 104546914
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
CID 43220661
N-[(2-prop-2-ynoxyphenyl)methyl]octan-2-amine
CID 43220796
(2R)-N-benzylheptan-2-amine
CID 14923313
3-chloro-4-[(heptan-2-ylamino)methyl]benzonitrile
CID 102664229
N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]nonan-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]nonan-2-amine (CID 43129766) is N-[(2-chlorophenyl)methyl]nonan-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]nonan-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]nonan-2-amine is CCCCCCCC(C)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]nonan-2-amine?
The InChIKey is YARMTDWHGVLQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-3-4-5-6-7-10-14(2)18-13-15-11-8-9-12-16(15)17/h8-9,11-12,14,18H,3-7,10,13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]nonan-2-amine?
N-[(2-chlorophenyl)methyl]nonan-2-amine has a molecular weight of 267.84 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]nonan-2-amine is sourced from PubChem (CID 43129766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).