1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine

C17H28ClN — CID 107103011

IUPAC1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cccc(Cl)c1C
InChIInChI=1S/C17H28ClN/c1-5-11-19-17(12-14(6-2)7-3)15-9-8-10-16(18)13(15)4/h8-10,14,17,19H,5-7,11-12H2,1-4H3
InChIKeyVTRUTYJTQWZNLO-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.52
Rot. Bonds8

About 1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine

1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine (PubChem CID 107103011) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
PubChem CID107103011
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cccc(Cl)c1C
InChIInChI=1S/C17H28ClN/c1-5-11-19-17(12-14(6-2)7-3)15-9-8-10-16(18)13(15)4/h8-10,14,17,19H,5-7,11-12H2,1-4H3
InChIKeyVTRUTYJTQWZNLO-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028424
1-(3-chloro-2-methylphenyl)-N,3-diethylheptan-1-amine
CID 107102078
1-(3-chloro-2-methylphenyl)-N-propylpent-4-yn-1-amine
CID 107102355
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017
N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107097272
N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107102196
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
CID 107101962
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine (CID 107103011) is 1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
The InChIKey is VTRUTYJTQWZNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-5-11-19-17(12-14(6-2)7-3)15-9-8-10-16(18)13(15)4/h8-10,14,17,19H,5-7,11-12H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine?
1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine is sourced from PubChem (CID 107103011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).