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

C17H16N2 — CID 116936837

IUPAC4-[amino(naphthalen-1-yl)methyl]aniline
SMILESNc1ccc(C(N)c2cccc3ccccc23)cc1
InChIInChI=1S/C17H16N2/c18-14-10-8-13(9-11-14)17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17H,18-19H2
InChIKeyHESUGVJCPCCKMO-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.47
Rot. Bonds2

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

4-[amino(naphthalen-1-yl)methyl]aniline (PubChem CID 116936837) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[amino(naphthalen-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[amino(naphthalen-1-yl)methyl]aniline
PubChem CID116936837
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4-[amino(naphthalen-1-yl)methyl]aniline
SMILESNc1ccc(C(N)c2cccc3ccccc23)cc1
InChIInChI=1S/C17H16N2/c18-14-10-8-13(9-11-14)17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17H,18-19H2
InChIKeyHESUGVJCPCCKMO-UHFFFAOYSA-N
XLogP3.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.47
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]benzoic acid;hydrochloride
CID 70088088
4-[methylamino(naphthalen-1-yl)methyl]aniline
CID 116952076
(3,4-dimethylphenyl)-naphthalen-1-ylmethanamine
CID 43149180
1,3-dihydro-2-benzofuran-5-yl(naphthalen-1-yl)methanamine
CID 63019163
naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 64990309
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
(2,5-dibromophenyl)-naphthalen-1-ylmethanamine
CID 43108974
(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine
CID 82772989
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747

Frequently Asked Questions

What is the IUPAC name of 4-[amino(naphthalen-1-yl)methyl]aniline?
The IUPAC name of 4-[amino(naphthalen-1-yl)methyl]aniline (CID 116936837) is 4-[amino(naphthalen-1-yl)methyl]aniline.
What is the SMILES notation for 4-[amino(naphthalen-1-yl)methyl]aniline?
The canonical SMILES for 4-[amino(naphthalen-1-yl)methyl]aniline is Nc1ccc(C(N)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-[amino(naphthalen-1-yl)methyl]aniline?
The InChIKey is HESUGVJCPCCKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c18-14-10-8-13(9-11-14)17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,17H,18-19H2.
What are the key properties of 4-[amino(naphthalen-1-yl)methyl]aniline?
4-[amino(naphthalen-1-yl)methyl]aniline has a molecular weight of 248.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(naphthalen-1-yl)methyl]aniline is sourced from PubChem (CID 116936837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).