2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine

C18H30ClN — CID 63522996

IUPAC2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CCC(CNCC(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H30ClN/c1-14(2)8-9-17(13-20-12-15(3)4)10-16-6-5-7-18(19)11-16/h5-7,11,14-15,17,20H,8-10,12-13H2,1-4H3
InChIKeyDWOVQQAADSWIOU-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.18
Rot. Bonds9

About 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine

2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 63522996) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID63522996
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CCC(CNCC(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H30ClN/c1-14(2)8-9-17(13-20-12-15(3)4)10-16-6-5-7-18(19)11-16/h5-7,11,14-15,17,20H,8-10,12-13H2,1-4H3
InChIKeyDWOVQQAADSWIOU-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-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

2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine
CID 63523534
2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
CID 103984352
2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216
2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138262
2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979377
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456686
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylheptan-1-amine
CID 55195075
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456688
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine (CID 63522996) is 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine is CC(C)CCC(CNCC(C)C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is DWOVQQAADSWIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-14(2)8-9-17(13-20-12-15(3)4)10-16-6-5-7-18(19)11-16/h5-7,11,14-15,17,20H,8-10,12-13H2,1-4H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine?
2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 295.90 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 2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 63522996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).