1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine

C18H30ClNO — CID 106868842

IUPAC1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1Cl)C(CC)(CC)OC
InChIInChI=1S/C18H30ClNO/c1-6-11-20-17(18(7-2,8-3)21-5)13-15-10-9-14(4)12-16(15)19/h9-10,12,17,20H,6-8,11,13H2,1-5H3
InChIKeyPUDJHZCYAKOKQL-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.76
Rot. Bonds9

About 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine

1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine (PubChem CID 106868842) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
PubChem CID106868842
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1Cl)C(CC)(CC)OC
InChIInChI=1S/C18H30ClNO/c1-6-11-20-17(18(7-2,8-3)21-5)13-15-10-9-14(4)12-16(15)19/h9-10,12,17,20H,6-8,11,13H2,1-5H3
InChIKeyPUDJHZCYAKOKQL-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390
1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
CID 106866613
1-(2-chloro-4-methylphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 106864903
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 106867588
3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116761381
1-(4-bromo-2-chlorophenyl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760754
1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 106868205
1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758355
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106868583
3-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 106865003
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine (CID 106868842) is 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine is CCCNC(Cc1ccc(C)cc1Cl)C(CC)(CC)OC.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine?
The InChIKey is PUDJHZCYAKOKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-6-11-20-17(18(7-2,8-3)21-5)13-15-10-9-14(4)12-16(15)19/h9-10,12,17,20H,6-8,11,13H2,1-5H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine?
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine has a molecular weight of 311.90 g/mol, XLogP of 4.76, 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-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 106868842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).