1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine

C16H20ClN — CID 79597516

IUPAC1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H20ClN/c1-4-16(2,3)15(18)13-9-10-14(17)12-8-6-5-7-11(12)13/h5-10,15H,4,18H2,1-3H3
InChIKeyDMPWJCKPPMWGRO-UHFFFAOYSA-N
MW261.80 g/mol
LogP4.93
Rot. Bonds3

About 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine

1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine (PubChem CID 79597516) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
PubChem CID79597516
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H20ClN/c1-4-16(2,3)15(18)13-9-10-14(17)12-8-6-5-7-11(12)13/h5-10,15H,4,18H2,1-3H3
InChIKeyDMPWJCKPPMWGRO-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine
CID 79592123
1-(4-chloro-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 105022655
2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine
CID 79592129
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
1-chloro-4-(1-chloro-3,4,4-trimethylpentyl)naphthalene
CID 79596839
1-(4-chloronaphthalen-1-yl)-N,3,3-trimethylbutan-1-amine
CID 79597722
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(4-chloronaphthalen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 79591908
1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 79597096

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine (CID 79597516) is 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is DMPWJCKPPMWGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c1-4-16(2,3)15(18)13-9-10-14(17)12-8-6-5-7-11(12)13/h5-10,15H,4,18H2,1-3H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine?
1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 261.80 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 79597516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).