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

C19H22FN — CID 115531888

IUPACN-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCc1ccc(NC2c3ccccc3CCC2(C)C)c(F)c1
InChIInChI=1S/C19H22FN/c1-13-8-9-17(16(20)12-13)21-18-15-7-5-4-6-14(15)10-11-19(18,2)3/h4-9,12,18,21H,10-11H2,1-3H3
InChIKeyNSFPBZCCRIUAHZ-UHFFFAOYSA-N
MW283.39 g/mol
LogP5.26
Rot. Bonds2

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

N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115531888) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115531888
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCc1ccc(NC2c3ccccc3CCC2(C)C)c(F)c1
InChIInChI=1S/C19H22FN/c1-13-8-9-17(16(20)12-13)21-18-15-7-5-4-6-14(15)10-11-19(18,2)3/h4-9,12,18,21H,10-11H2,1-3H3
InChIKeyNSFPBZCCRIUAHZ-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.26
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-(3-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531796
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-5-methylpyridin-3-amine
CID 107584671
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531800
N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821346
3-(2-fluoro-4-methylanilino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313134
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)thiophen-3-amine
CID 113329807
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82815052
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)pyridin-3-amine
CID 115531786
(3S)-3-(2-fluoro-4-methylanilino)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-isoindol-1-one
CID 28685795

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (CID 115531888) is N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is Cc1ccc(NC2c3ccccc3CCC2(C)C)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is NSFPBZCCRIUAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-13-8-9-17(16(20)12-13)21-18-15-7-5-4-6-14(15)10-11-19(18,2)3/h4-9,12,18,21H,10-11H2,1-3H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 283.39 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115531888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).