N-[naphthalen-2-yl(phenyl)methyl]aniline

C23H19N — CID 127042063

IUPACN-[naphthalen-2-yl(phenyl)methyl]aniline
SMILESc1ccc(NC(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H19N/c1-3-10-19(11-4-1)23(24-22-13-5-2-6-14-22)21-16-15-18-9-7-8-12-20(18)17-21/h1-17,23-24H
InChIKeyWPJYDTYFROQBPI-UHFFFAOYSA-N
MW309.41 g/mol
LogP6.04
Rot. Bonds4

About N-[naphthalen-2-yl(phenyl)methyl]aniline

N-[naphthalen-2-yl(phenyl)methyl]aniline (PubChem CID 127042063) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[naphthalen-2-yl(phenyl)methyl]aniline.

Molecular Properties

Compound NameN-[naphthalen-2-yl(phenyl)methyl]aniline
PubChem CID127042063
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC NameN-[naphthalen-2-yl(phenyl)methyl]aniline
SMILESc1ccc(NC(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H19N/c1-3-10-19(11-4-1)23(24-22-13-5-2-6-14-22)21-16-15-18-9-7-8-12-20(18)17-21/h1-17,23-24H
InChIKeyWPJYDTYFROQBPI-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

alpha,alpha'-Dianilino-p-xylene
CID 607368
(2,4,4-Trimethylpentyl)-N-phenyl-1-naphthylamine
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(Phenanthren-9-yl)-phenyl-amine
CID 9943327
1,1'-Dinaphthylamine
CID 224480
N-(1-naphthylmethyl)-N-(2-naphthylmethyl)amine
CID 2817655
alpha,Alphapr-(4-ethylanilino)-P-xylene
CID 328731
1,2-Benzenedimethanamine, N,N'-diphenyl-
CID 606964
beta,beta'-Dinaphthylamine
CID 68283
N-(4-Biphenylyl)-2-naphthylamine
CID 236881
(3aS,6aR)-4-(naphthalen-2-yl)-5-[(4E)-oct-4-en-4-yl]-N-phenyl-1,2,3,3a,6,6a-hexahydropentalen-3a-amine
CID 24825425
US9205085, Msx-174
CID 3098264
1-(3-Naphthalen-2-yl-propyl)-4-phenyl-piperazine
CID 15723897

Frequently Asked Questions

What is the IUPAC name of N-[naphthalen-2-yl(phenyl)methyl]aniline?
The IUPAC name of N-[naphthalen-2-yl(phenyl)methyl]aniline (CID 127042063) is N-[naphthalen-2-yl(phenyl)methyl]aniline.
What is the SMILES notation for N-[naphthalen-2-yl(phenyl)methyl]aniline?
The canonical SMILES for N-[naphthalen-2-yl(phenyl)methyl]aniline is c1ccc(NC(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[naphthalen-2-yl(phenyl)methyl]aniline?
The InChIKey is WPJYDTYFROQBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-3-10-19(11-4-1)23(24-22-13-5-2-6-14-22)21-16-15-18-9-7-8-12-20(18)17-21/h1-17,23-24H.
What are the key properties of N-[naphthalen-2-yl(phenyl)methyl]aniline?
N-[naphthalen-2-yl(phenyl)methyl]aniline has a molecular weight of 309.41 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[naphthalen-2-yl(phenyl)methyl]aniline is sourced from PubChem (CID 127042063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).