N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine

C17H21NS — CID 43286135

IUPACN-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Sc1ccccc1
InChIInChI=1S/C17H21NS/c1-3-13-18-14(2)16-11-7-8-12-17(16)19-15-9-5-4-6-10-15/h4-12,14,18H,3,13H2,1-2H3
InChIKeyNUWIXQUDDCRFJG-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.90
Rot. Bonds6

About N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine

N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine (PubChem CID 43286135) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
PubChem CID43286135
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Sc1ccccc1
InChIInChI=1S/C17H21NS/c1-3-13-18-14(2)16-11-7-8-12-17(16)19-15-9-5-4-6-10-15/h4-12,14,18H,3,13H2,1-2H3
InChIKeyNUWIXQUDDCRFJG-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63531998
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286252
N-[1-(2-pyridin-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286336
N-[1-(3-bromo-4-phenylsulfanylphenyl)ethyl]propan-1-amine
CID 63533655
1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 43286383
N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 82956925
4-ethyl-3-[2-[1-(propylamino)ethyl]phenyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 62883946
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
N-[1-[4-bromo-2-(2-chlorophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 82955742
N-ethyl-N-phenyl-2-[1-(propylamino)ethyl]aniline
CID 43284277

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine (CID 43286135) is N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccccc1Sc1ccccc1.
What is the InChIKey of N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine?
The InChIKey is NUWIXQUDDCRFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-13-18-14(2)16-11-7-8-12-17(16)19-15-9-5-4-6-10-15/h4-12,14,18H,3,13H2,1-2H3.
What are the key properties of N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine?
N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylsulfanylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43286135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).