N'-naphthalen-1-yl-N'-phenylmethanediamine

C17H16N2 — CID 144646695

IUPACN'-naphthalen-1-yl-N'-phenylmethanediamine
SMILESNCN(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H16N2/c18-13-19(15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13,18H2
InChIKeyXPVJMBWJRGCVOL-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.89
Rot. Bonds3

About N'-naphthalen-1-yl-N'-phenylmethanediamine

N'-naphthalen-1-yl-N'-phenylmethanediamine (PubChem CID 144646695) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-naphthalen-1-yl-N'-phenylmethanediamine.

Molecular Properties

Compound NameN'-naphthalen-1-yl-N'-phenylmethanediamine
PubChem CID144646695
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC NameN'-naphthalen-1-yl-N'-phenylmethanediamine
SMILESNCN(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H16N2/c18-13-19(15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13,18H2
InChIKeyXPVJMBWJRGCVOL-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
N-naphthalen-1-yl-N-phenylthiohydroxylamine
CID 57319297
N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine
CID 147894052
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
1-N-benzyl-4-N-[4-[4-[benzyl(naphthalen-1-yl)amino]-N-naphthalen-1-ylanilino]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
CID 141140268
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-1-yl-N'-phenylmethanediamine?
The IUPAC name of N'-naphthalen-1-yl-N'-phenylmethanediamine (CID 144646695) is N'-naphthalen-1-yl-N'-phenylmethanediamine.
What is the SMILES notation for N'-naphthalen-1-yl-N'-phenylmethanediamine?
The canonical SMILES for N'-naphthalen-1-yl-N'-phenylmethanediamine is NCN(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N'-naphthalen-1-yl-N'-phenylmethanediamine?
The InChIKey is XPVJMBWJRGCVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c18-13-19(15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13,18H2.
What are the key properties of N'-naphthalen-1-yl-N'-phenylmethanediamine?
N'-naphthalen-1-yl-N'-phenylmethanediamine has a molecular weight of 248.33 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-1-yl-N'-phenylmethanediamine is sourced from PubChem (CID 144646695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).