1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine

C17H28ClNO — CID 82983938

IUPAC1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NCC)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H28ClNO/c1-5-8-13(9-6-2)17(19-7-3)15-11-10-14(20-4)12-16(15)18/h10-13,17,19H,5-9H2,1-4H3
InChIKeyDKEABOZCSVOCDV-UHFFFAOYSA-N
MW297.87 g/mol
LogP5.22
Rot. Bonds9

About 1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine

1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine (PubChem CID 82983938) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine
PubChem CID82983938
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NCC)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H28ClNO/c1-5-8-13(9-6-2)17(19-7-3)15-11-10-14(20-4)12-16(15)18/h10-13,17,19H,5-9H2,1-4H3
InChIKeyDKEABOZCSVOCDV-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.87
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43562095
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
CID 82985129
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43562069
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040
1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
CID 114752463
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
CID 43561758
N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine
CID 105032924

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine (CID 82983938) is 1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine is CCCC(CCC)C(NCC)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine?
The InChIKey is DKEABOZCSVOCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-5-8-13(9-6-2)17(19-7-3)15-11-10-14(20-4)12-16(15)18/h10-13,17,19H,5-9H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine?
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine is sourced from PubChem (CID 82983938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).