4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine

C15H24ClNO — CID 79700435

IUPAC4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H24ClNO/c1-5-8-17-12(3)9-11(2)13-6-7-14(16)15(10-13)18-4/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyDGAQMUSLQSDEET-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.23
Rot. Bonds7

About 4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine

4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine (PubChem CID 79700435) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine
PubChem CID79700435
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H24ClNO/c1-5-8-17-12(3)9-11(2)13-6-7-14(16)15(10-13)18-4/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyDGAQMUSLQSDEET-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
CID 64720986
4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine
CID 64718995
4-(4-bromopentan-2-yl)-1-chloro-2-methoxybenzene
CID 79700193
N-[1-[4-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699320
N-[1-(4-chloro-3-methoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 79698032
4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 79698312
4-(3-chlorophenyl)-N-propylpentan-2-amine
CID 64721439
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714786
N-[(4-chloro-3-methoxyphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830322
N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 79699083

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine (CID 79700435) is 4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine is CCCNC(C)CC(C)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine?
The InChIKey is DGAQMUSLQSDEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-8-17-12(3)9-11(2)13-6-7-14(16)15(10-13)18-4/h6-7,10-12,17H,5,8-9H2,1-4H3.
What are the key properties of 4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine?
4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 79700435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).