N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

C19H22ClN — CID 115531796

IUPACN-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCc1c(Cl)cccc1NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C19H22ClN/c1-13-16(20)9-6-10-17(13)21-18-15-8-5-4-7-14(15)11-12-19(18,2)3/h4-10,18,21H,11-12H2,1-3H3
InChIKeyRGXAKLFQGGXFCJ-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.77
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115531796) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115531796
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCc1c(Cl)cccc1NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C19H22ClN/c1-13-16(20)9-6-10-17(13)21-18-15-8-5-4-7-14(15)11-12-19(18,2)3/h4-10,18,21H,11-12H2,1-3H3
InChIKeyRGXAKLFQGGXFCJ-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531891
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531857
N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531888
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine
CID 113329807
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43758617
2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329802
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531800
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-5-methylpyridin-3-amine
CID 107584671
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)pyridin-3-amine
CID 115531786
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-1-methylpyrazol-3-amine
CID 115531969
2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine
CID 82820871
N-(3-chloro-2-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915895

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (CID 115531796) is N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is Cc1c(Cl)cccc1NC1c2ccccc2CCC1(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is RGXAKLFQGGXFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-13-16(20)9-6-10-17(13)21-18-15-8-5-4-7-14(15)11-12-19(18,2)3/h4-10,18,21H,11-12H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 299.85 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115531796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).