1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine

C14H22ClNO — CID 63891932

IUPAC1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)CC(C)(C)C
InChIInChI=1S/C14H22ClNO/c1-14(2,3)9-12(16)8-10-7-11(15)5-6-13(10)17-4/h5-7,12H,8-9,16H2,1-4H3
InChIKeyNCUWVKHYLJNVQI-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.65
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine

1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine (PubChem CID 63891932) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
PubChem CID63891932
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)CC(C)(C)C
InChIInChI=1S/C14H22ClNO/c1-14(2,3)9-12(16)8-10-7-11(15)5-6-13(10)17-4/h5-7,12H,8-9,16H2,1-4H3
InChIKeyNCUWVKHYLJNVQI-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63892579
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
[1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
CID 105297547
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
[1-(5-chloro-2-methoxyphenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025258
1-(5-chloro-2-methoxyphenyl)-3-(cyclohexen-1-yl)propan-2-amine
CID 116661242
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine (CID 63891932) is 1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine is COc1ccc(Cl)cc1CC(N)CC(C)(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
The InChIKey is NCUWVKHYLJNVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-14(2,3)9-12(16)8-10-7-11(15)5-6-13(10)17-4/h5-7,12H,8-9,16H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine?
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 63891932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).