naphthalen-1-amine;phenylmethanamine

C17H18N2 — CID 23298608

IUPACnaphthalen-1-amine;phenylmethanamine
SMILESNCc1ccccc1.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.C7H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;8-6-7-4-2-1-3-5-7/h1-7H,11H2;1-5H,6,8H2
InChIKeyMHLSEVKTDINQRO-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.57
Rot. Bonds1

About naphthalen-1-amine;phenylmethanamine

naphthalen-1-amine;phenylmethanamine (PubChem CID 23298608) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is naphthalen-1-amine;phenylmethanamine.

Molecular Properties

Compound Namenaphthalen-1-amine;phenylmethanamine
PubChem CID23298608
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Namenaphthalen-1-amine;phenylmethanamine
SMILESNCc1ccccc1.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.C7H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;8-6-7-4-2-1-3-5-7/h1-7H,11H2;1-5H,6,8H2
InChIKeyMHLSEVKTDINQRO-UHFFFAOYSA-N
XLogP3.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.57
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

Phenyl-1-naphthylamine
CID 7013
1-Naphthylamine
CID 8640
2-Naphthylamine
CID 7057
2-Aminoanthracene
CID 11937
1,5-Diaminonaphthalene
CID 16720
Yellow No. 2
CID 6824
1,8-Diaminonaphthalene
CID 68067
1-Aminopyrene
CID 15352
1-Aminoanthracene
CID 11885
1-Naphthalenamine, 4-(phenylazo)-
CID 8562
6-Aminochrysene
CID 17534
N-(1-Naphthyl)ethylenediamine
CID 15107

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-amine;phenylmethanamine?
The IUPAC name of naphthalen-1-amine;phenylmethanamine (CID 23298608) is naphthalen-1-amine;phenylmethanamine.
What is the SMILES notation for naphthalen-1-amine;phenylmethanamine?
The canonical SMILES for naphthalen-1-amine;phenylmethanamine is NCc1ccccc1.Nc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-amine;phenylmethanamine?
The InChIKey is MHLSEVKTDINQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C7H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10;8-6-7-4-2-1-3-5-7/h1-7H,11H2;1-5H,6,8H2.
What are the key properties of naphthalen-1-amine;phenylmethanamine?
naphthalen-1-amine;phenylmethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-amine;phenylmethanamine is sourced from PubChem (CID 23298608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).