N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine

C14H22ClN — CID 103460838

IUPACN-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-5-14(3,4)10-16-11(2)12-7-6-8-13(15)9-12/h6-9,11,16H,5,10H2,1-4H3
InChIKeyACJHSMVCKCQXKA-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.43
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine

N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine (PubChem CID 103460838) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
PubChem CID103460838
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNC(C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-5-14(3,4)10-16-11(2)12-7-6-8-13(15)9-12/h6-9,11,16H,5,10H2,1-4H3
InChIKeyACJHSMVCKCQXKA-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460526
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429
(1S)-1-(3-chlorophenyl)-N-(2-ethylsulfanylethyl)ethanamine
CID 104863374
N-[(1R)-1-(3-chlorophenyl)ethyl]-4,4-dimethylpent-2-yn-1-amine
CID 114189892
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
methyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoate
CID 104644821
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 81371630
N-[1-(3-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115899474
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
N-[(1R)-1-(3-chlorophenyl)ethyl]but-2-yn-1-amine
CID 81372663
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine (CID 103460838) is N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine?
The InChIKey is ACJHSMVCKCQXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-5-14(3,4)10-16-11(2)12-7-6-8-13(15)9-12/h6-9,11,16H,5,10H2,1-4H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine?
N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103460838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).