5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

C12H16ClN — CID 84621337

IUPAC5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(N)c2cccc(Cl)c21
InChIInChI=1S/C12H16ClN/c1-12(2)7-6-10(14)8-4-3-5-9(13)11(8)12/h3-5,10H,6-7,14H2,1-2H3
InChIKeyKHFQAZSHELBEKI-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.41
Rot. Bonds

About 5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 84621337) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID84621337
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(N)c2cccc(Cl)c21
InChIInChI=1S/C12H16ClN/c1-12(2)7-6-10(14)8-4-3-5-9(13)11(8)12/h3-5,10H,6-7,14H2,1-2H3
InChIKeyKHFQAZSHELBEKI-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-4-(3,4-dichlorophenyl)-4-methyl-2,3-dihydro-1H-naphthalen-1-amine
CID 134340247
2-amino-5-chloro-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 84624497
4-(3,4-dichlorophenyl)-2,3-dihydro-1H-naphthalene-1,4-diamine;ethane
CID 143284992
(5S)-9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014554
(1R)-4-chloro-1-methyl-2,3-dihydro-1H-isoindole
CID 131080602
3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine
CID 83823137
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609
4-(2-chlorophenyl)-1-methylcyclohexan-1-ol
CID 173109807
(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine
CID 43316841
cis-(1R,3S)-3-(2-chlorophenyl)cyclopentan-1-amine
CID 94680134
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
(3S,4S)-8-chloro-3-methyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 161082313

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 84621337) is 5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is CC1(C)CCC(N)c2cccc(Cl)c21.
What is the InChIKey of 5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is KHFQAZSHELBEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-12(2)7-6-10(14)8-4-3-5-9(13)11(8)12/h3-5,10H,6-7,14H2,1-2H3.
What are the key properties of 5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 84621337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).