4-[methylamino(naphthalen-1-yl)methyl]aniline

C18H18N2 — CID 116952076

IUPAC4-[methylamino(naphthalen-1-yl)methyl]aniline
SMILESCNC(c1ccc(N)cc1)c1cccc2ccccc12
InChIInChI=1S/C18H18N2/c1-20-18(14-9-11-15(19)12-10-14)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18,20H,19H2,1H3
InChIKeyPRZGJXYTDZVLSW-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.73
Rot. Bonds3

About 4-[methylamino(naphthalen-1-yl)methyl]aniline

4-[methylamino(naphthalen-1-yl)methyl]aniline (PubChem CID 116952076) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[methylamino(naphthalen-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[methylamino(naphthalen-1-yl)methyl]aniline
PubChem CID116952076
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[methylamino(naphthalen-1-yl)methyl]aniline
SMILESCNC(c1ccc(N)cc1)c1cccc2ccccc12
InChIInChI=1S/C18H18N2/c1-20-18(14-9-11-15(19)12-10-14)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18,20H,19H2,1H3
InChIKeyPRZGJXYTDZVLSW-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[amino(naphthalen-1-yl)methyl]aniline
CID 116936837
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
1-(3,4-difluorophenyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 43484617
N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 79692934
N-methyl-1-(1-methylpyrazol-4-yl)-1-naphthalen-1-ylmethanamine
CID 43485969
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
[(4-bromophenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105192517
1-N-methyl-1-naphthalen-1-ylpropane-1,2-diamine
CID 116948174
4-[(R)-methylamino-(4-methylphenyl)methyl]aniline
CID 90212370
1-(3-chloro-2-pyridinyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 103444331
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63940161

Frequently Asked Questions

What is the IUPAC name of 4-[methylamino(naphthalen-1-yl)methyl]aniline?
The IUPAC name of 4-[methylamino(naphthalen-1-yl)methyl]aniline (CID 116952076) is 4-[methylamino(naphthalen-1-yl)methyl]aniline.
What is the SMILES notation for 4-[methylamino(naphthalen-1-yl)methyl]aniline?
The canonical SMILES for 4-[methylamino(naphthalen-1-yl)methyl]aniline is CNC(c1ccc(N)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-[methylamino(naphthalen-1-yl)methyl]aniline?
The InChIKey is PRZGJXYTDZVLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-20-18(14-9-11-15(19)12-10-14)17-8-4-6-13-5-2-3-7-16(13)17/h2-12,18,20H,19H2,1H3.
What are the key properties of 4-[methylamino(naphthalen-1-yl)methyl]aniline?
4-[methylamino(naphthalen-1-yl)methyl]aniline has a molecular weight of 262.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylamino(naphthalen-1-yl)methyl]aniline is sourced from PubChem (CID 116952076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).