(1S)-N-benzyl-1-phenylethanamine;sulfane

C15H19NS — CID 157387061

IUPAC(1S)-N-benzyl-1-phenylethanamine;sulfane
SMILESC[C@H](NCc1ccccc1)c1ccccc1.S
InChIInChI=1S/C15H17N.H2S/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;/h2-11,13,16H,12H2,1H3;1H2/t13-;/m0./s1
InChIKeyBLOFSBOIRSASBS-ZOWNYOTGSA-N
MW245.39 g/mol
LogP3.65
Rot. Bonds4

About (1S)-N-benzyl-1-phenylethanamine;sulfane

(1S)-N-benzyl-1-phenylethanamine;sulfane (PubChem CID 157387061) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (1S)-N-benzyl-1-phenylethanamine;sulfane.

Molecular Properties

Compound Name(1S)-N-benzyl-1-phenylethanamine;sulfane
PubChem CID157387061
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(1S)-N-benzyl-1-phenylethanamine;sulfane
SMILESC[C@H](NCc1ccccc1)c1ccccc1.S
InChIInChI=1S/C15H17N.H2S/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;/h2-11,13,16H,12H2,1H3;1H2/t13-;/m0./s1
InChIKeyBLOFSBOIRSASBS-ZOWNYOTGSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372

Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-1-phenylethanamine;sulfane?
The IUPAC name of (1S)-N-benzyl-1-phenylethanamine;sulfane (CID 157387061) is (1S)-N-benzyl-1-phenylethanamine;sulfane.
What is the SMILES notation for (1S)-N-benzyl-1-phenylethanamine;sulfane?
The canonical SMILES for (1S)-N-benzyl-1-phenylethanamine;sulfane is C[C@H](NCc1ccccc1)c1ccccc1.S.
What is the InChIKey of (1S)-N-benzyl-1-phenylethanamine;sulfane?
The InChIKey is BLOFSBOIRSASBS-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H17N.H2S/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;/h2-11,13,16H,12H2,1H3;1H2/t13-;/m0./s1.
What are the key properties of (1S)-N-benzyl-1-phenylethanamine;sulfane?
(1S)-N-benzyl-1-phenylethanamine;sulfane has a molecular weight of 245.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-1-phenylethanamine;sulfane is sourced from PubChem (CID 157387061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).