N-(3-phenylprop-2-ynyl)naphthalen-1-amine

C19H15N — CID 62340347

IUPACN-(3-phenylprop-2-ynyl)naphthalen-1-amine
SMILESC(#Cc1ccccc1)CNc1cccc2ccccc12
InChIInChI=1S/C19H15N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19/h1-6,8-9,11-14,20H,15H2
InChIKeyPWQYTPVIQDKJMB-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.30
Rot. Bonds2

About N-(3-phenylprop-2-ynyl)naphthalen-1-amine

N-(3-phenylprop-2-ynyl)naphthalen-1-amine (PubChem CID 62340347) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)naphthalen-1-amine
PubChem CID62340347
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC NameN-(3-phenylprop-2-ynyl)naphthalen-1-amine
SMILESC(#Cc1ccccc1)CNc1cccc2ccccc12
InChIInChI=1S/C19H15N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19/h1-6,8-9,11-14,20H,15H2
InChIKeyPWQYTPVIQDKJMB-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(3-phenylprop-2-ynyl)aniline
CID 55060373
N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 62341212
3-bromo-2-(methoxymethyl)-N-(3-phenylprop-2-ynyl)aniline
CID 62340357
2,6-dibromo-N-(3-phenylprop-2-ynyl)aniline
CID 107598980
2,5-dibromo-N-(3-phenylprop-2-ynyl)aniline
CID 63492916
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
2,5-dichloro-4-methyl-N-(3-phenylprop-2-ynyl)aniline
CID 104726759
3-iodo-N-(3-phenylprop-2-ynyl)aniline
CID 62340514
4-tert-butyl-N-(3-phenylprop-2-ynyl)aniline
CID 63487578
2-methyl-1-N-(3-phenylprop-2-ynyl)propane-1,2-diamine
CID 102014487
3-bromo-4-(3-phenylprop-2-ynylamino)benzonitrile
CID 107789761
3-ethyl-N-(3-phenylprop-2-ynyl)aniline
CID 62339172

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)naphthalen-1-amine?
The IUPAC name of N-(3-phenylprop-2-ynyl)naphthalen-1-amine (CID 62340347) is N-(3-phenylprop-2-ynyl)naphthalen-1-amine.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)naphthalen-1-amine?
The canonical SMILES for N-(3-phenylprop-2-ynyl)naphthalen-1-amine is C(#Cc1ccccc1)CNc1cccc2ccccc12.
What is the InChIKey of N-(3-phenylprop-2-ynyl)naphthalen-1-amine?
The InChIKey is PWQYTPVIQDKJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19/h1-6,8-9,11-14,20H,15H2.
What are the key properties of N-(3-phenylprop-2-ynyl)naphthalen-1-amine?
N-(3-phenylprop-2-ynyl)naphthalen-1-amine has a molecular weight of 257.34 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)naphthalen-1-amine is sourced from PubChem (CID 62340347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).