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

C15H18ClN — CID 79597241

IUPAC1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H18ClN/c1-15(2,3)14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9,14H,17H2,1-3H3
InChIKeyXNLASXQZOVWOGJ-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.54
Rot. Bonds1

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

1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine (PubChem CID 79597241) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
PubChem CID79597241
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H18ClN/c1-15(2,3)14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9,14H,17H2,1-3H3
InChIKeyXNLASXQZOVWOGJ-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
CID 79597516
(1S)-2,2-dimethyl-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171242641
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
1-chloro-4-(1-chloro-3,4,4-trimethylpentyl)naphthalene
CID 79596839
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
(1R)-2,2-dimethyl-1-phenanthren-9-ylpropan-1-amine;hydrochloride
CID 171250653
1-(4-chloronaphthalen-1-yl)-N,3,3-trimethylbutan-1-amine
CID 79597722
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine
CID 104518953
(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247920
2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline
CID 130043324
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine (CID 79597241) is 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is XNLASXQZOVWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c1-15(2,3)14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9,14H,17H2,1-3H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine?
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 247.77 g/mol, XLogP of 4.54, 1 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-dimethylpropan-1-amine is sourced from PubChem (CID 79597241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).