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

C14H22ClNO — CID 79700129

IUPAC1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H22ClNO/c1-14(2,3)9-12(16-4)10-6-7-11(15)13(8-10)17-5/h6-8,12,16H,9H2,1-5H3
InChIKeyPZXOZXQUIFGIHS-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.05
Rot. Bonds4

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

1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 79700129) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
PubChem CID79700129
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H22ClNO/c1-14(2,3)9-12(16-4)10-6-7-11(15)13(8-10)17-5/h6-8,12,16H,9H2,1-5H3
InChIKeyPZXOZXQUIFGIHS-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-propylsulfanylethanamine
CID 79697204
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine
CID 79700594
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 79697191
1-(4-chloro-3-methoxyphenyl)-2-(cyclohexen-1-yl)-N-methylethanamine
CID 116661458
1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79700151
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine
CID 105235527
N-tert-butyl-3-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-amine
CID 81016189
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 115863105

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine (CID 79700129) is 1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine is CNC(CC(C)(C)C)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is PZXOZXQUIFGIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-14(2,3)9-12(16-4)10-6-7-11(15)13(8-10)17-5/h6-8,12,16H,9H2,1-5H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine?
1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 4.05, 4 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,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 79700129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).