4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine

C15H24ClN — CID 81021801

IUPAC4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN/c1-12(2)17-9-8-15(3,4)11-13-6-5-7-14(16)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyAKQPOJYHNFTOLB-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.30
Rot. Bonds6

About 4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine

4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 81021801) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID81021801
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN/c1-12(2)17-9-8-15(3,4)11-13-6-5-7-14(16)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyAKQPOJYHNFTOLB-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81022084
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
CID 104737370
4-(3-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 102864418
3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 81022087
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665001
1-(3-chlorophenyl)-2,3-dimethylpentan-2-amine
CID 60919276
3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81021922
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
1-chloro-3-(2,2-dimethoxypropyl)benzene
CID 102600712
1-chloro-3-(2,2,2-tribromoethyl)benzene
CID 54491677

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 81021801) is 4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)Cc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is AKQPOJYHNFTOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-12(2)17-9-8-15(3,4)11-13-6-5-7-14(16)10-13/h5-7,10,12,17H,8-9,11H2,1-4H3.
What are the key properties of 4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81021801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).