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

C19H22ClN — CID 115531857

IUPACN-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCc1cc(Cl)ccc1NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C19H22ClN/c1-13-12-15(20)8-9-17(13)21-18-16-7-5-4-6-14(16)10-11-19(18,2)3/h4-9,12,18,21H,10-11H2,1-3H3
InChIKeyJFCQISUYQIAVDT-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.77
Rot. Bonds2

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

N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115531857) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115531857
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC NameN-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCc1cc(Cl)ccc1NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C19H22ClN/c1-13-12-15(20)8-9-17(13)21-18-16-7-5-4-6-14(16)10-11-19(18,2)3/h4-9,12,18,21H,10-11H2,1-3H3
InChIKeyJFCQISUYQIAVDT-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-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531888
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531796
N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821346
6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065439
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-5-methylpyridin-3-amine
CID 107584671
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
CID 79864654
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine
CID 113329807
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)pyridin-3-amine
CID 115531786
N-(4-chloro-2-methylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43766534
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (CID 115531857) is N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is Cc1cc(Cl)ccc1NC1c2ccccc2CCC1(C)C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is JFCQISUYQIAVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-13-12-15(20)8-9-17(13)21-18-16-7-5-4-6-14(16)10-11-19(18,2)3/h4-9,12,18,21H,10-11H2,1-3H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
N-(4-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-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115531857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).