1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine

C15H24ClNO — CID 79698062

IUPAC1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCc1ccc(Cl)c(OC)c1)C(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-15(2,3)14(17-4)9-7-11-6-8-12(16)13(10-11)18-5/h6,8,10,14,17H,7,9H2,1-5H3
InChIKeyALKDPRYHMSQZOQ-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine

1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine (PubChem CID 79698062) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
PubChem CID79698062
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCc1ccc(Cl)c(OC)c1)C(C)(C)C
InChIInChI=1S/C15H24ClNO/c1-15(2,3)14(17-4)9-7-11-6-8-12(16)13(10-11)18-5/h6,8,10,14,17H,7,9H2,1-5H3
InChIKeyALKDPRYHMSQZOQ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 79700883
1-chloro-4-(3-chloro-4-methylpentyl)-2-methoxybenzene
CID 79697795
4-(4-chloro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 79698312
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 79700129
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 103396754
4-[3-[2-(3,4-dichlorophenyl)propan-2-ylamino]butyl]-2-methoxyphenol
CID 71276995
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115818086
N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine
CID 64989716
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine
CID 43175882

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine (CID 79698062) is 1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine is CNC(CCc1ccc(Cl)c(OC)c1)C(C)(C)C.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine?
The InChIKey is ALKDPRYHMSQZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-15(2,3)14(17-4)9-7-11-6-8-12(16)13(10-11)18-5/h6,8,10,14,17H,7,9H2,1-5H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine?
1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine has a molecular weight of 269.82 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-N,4,4-trimethylpentan-3-amine is sourced from PubChem (CID 79698062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).