1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine

C14H22ClN — CID 63891305

IUPAC1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-5-16-13(10-14(2,3)4)11-7-6-8-12(15)9-11/h6-9,13,16H,5,10H2,1-4H3
InChIKeyOOBXQPKAKMFRGO-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.43
Rot. Bonds4

About 1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine

1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 63891305) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID63891305
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-5-16-13(10-14(2,3)4)11-7-6-8-12(15)9-11/h6-9,13,16H,5,10H2,1-4H3
InChIKeyOOBXQPKAKMFRGO-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
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1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 63891305) is 1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is OOBXQPKAKMFRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-5-16-13(10-14(2,3)4)11-7-6-8-12(15)9-11/h6-9,13,16H,5,10H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 63891305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).