N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine

C18H18N2 — CID 115212453

IUPACN-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
SMILESCN(Cc1ccc(N)cc1)c1cccc2ccccc12
InChIInChI=1S/C18H18N2/c1-20(13-14-9-11-16(19)12-10-14)18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13,19H2,1H3
InChIKeyYIHYIBVPMVLBIB-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.06
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine

N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine (PubChem CID 115212453) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
PubChem CID115212453
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
SMILESCN(Cc1ccc(N)cc1)c1cccc2ccccc12
InChIInChI=1S/C18H18N2/c1-20(13-14-9-11-16(19)12-10-14)18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13,19H2,1H3
InChIKeyYIHYIBVPMVLBIB-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813
4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine
CID 28894653
5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038946
N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine
CID 60875520
2-[methyl(naphthalen-1-yl)amino]ethanethiol
CID 115223888
N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60875525
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
[methyl(naphthalen-1-yl)amino]methylphosphonic acid
CID 19024142
N-[(4-aminophenyl)methyl]-N,3-dimethylquinolin-2-amine
CID 63229274
4-N-[4-[4-(4-benzyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 143113018
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465
methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate
CID 60572966

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine (CID 115212453) is N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine is CN(Cc1ccc(N)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine?
The InChIKey is YIHYIBVPMVLBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-20(13-14-9-11-16(19)12-10-14)18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13,19H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine?
N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine has a molecular weight of 262.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine is sourced from PubChem (CID 115212453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).