N-tert-butyl-3-(2-chlorophenyl)butan-1-amine

C14H22ClN — CID 81018856

IUPACN-tert-butyl-3-(2-chlorophenyl)butan-1-amine
SMILESCC(CCNC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C14H22ClN/c1-11(9-10-16-14(2,3)4)12-7-5-6-8-13(12)15/h5-8,11,16H,9-10H2,1-4H3
InChIKeyZLVRJPIGMSAYJY-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.22
Rot. Bonds4

About N-tert-butyl-3-(2-chlorophenyl)butan-1-amine

N-tert-butyl-3-(2-chlorophenyl)butan-1-amine (PubChem CID 81018856) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-tert-butyl-3-(2-chlorophenyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(2-chlorophenyl)butan-1-amine
PubChem CID81018856
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-tert-butyl-3-(2-chlorophenyl)butan-1-amine
SMILESCC(CCNC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C14H22ClN/c1-11(9-10-16-14(2,3)4)12-7-5-6-8-13(12)15/h5-8,11,16H,9-10H2,1-4H3
InChIKeyZLVRJPIGMSAYJY-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-N-propylbutan-1-amine
CID 81019163
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81377419
(1R)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride
CID 45357807
N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
CID 79446177
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166997
N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
CID 102984855
6-(2-chlorophenyl)heptan-3-amine
CID 83924191
2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;ethanol
CID 174971213
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-chlorophenyl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-(2-chlorophenyl)butan-1-amine (CID 81018856) is N-tert-butyl-3-(2-chlorophenyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(2-chlorophenyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-(2-chlorophenyl)butan-1-amine is CC(CCNC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of N-tert-butyl-3-(2-chlorophenyl)butan-1-amine?
The InChIKey is ZLVRJPIGMSAYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-11(9-10-16-14(2,3)4)12-7-5-6-8-13(12)15/h5-8,11,16H,9-10H2,1-4H3.
What are the key properties of N-tert-butyl-3-(2-chlorophenyl)butan-1-amine?
N-tert-butyl-3-(2-chlorophenyl)butan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-chlorophenyl)butan-1-amine is sourced from PubChem (CID 81018856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).