N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C19H19N — CID 62341212

IUPACN-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESC(#Cc1ccccc1)CNc1cccc2c1CCCC2
InChIInChI=1S/C19H19N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19/h1-3,6,8-9,12,14,20H,4-5,11,13,15H2
InChIKeyYSNKIIRJGKDDBZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.03
Rot. Bonds2

About N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 62341212) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID62341212
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC NameN-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESC(#Cc1ccccc1)CNc1cccc2c1CCCC2
InChIInChI=1S/C19H19N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19/h1-3,6,8-9,12,14,20H,4-5,11,13,15H2
InChIKeyYSNKIIRJGKDDBZ-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.03
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

N-(3-phenylprop-2-ynyl)naphthalen-1-amine
CID 62340347
N-(3-phenoxypropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 63488096
2-fluoro-N-(3-phenylprop-2-ynyl)aniline
CID 55060373
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43129204
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114265228
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 62341212) is N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine is C(#Cc1ccccc1)CNc1cccc2c1CCCC2.
What is the InChIKey of N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is YSNKIIRJGKDDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19/h1-3,6,8-9,12,14,20H,4-5,11,13,15H2.
What are the key properties of N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-(3-phenylprop-2-ynyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 261.37 g/mol, XLogP of 4.03, 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)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 62341212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).