1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine

C17H19NS — CID 24805522

IUPAC1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine
SMILESC=CCSc1ccccc1CNCc1ccccc1
InChIInChI=1S/C17H19NS/c1-2-12-19-17-11-7-6-10-16(17)14-18-13-15-8-4-3-5-9-15/h2-11,18H,1,12-14H2
InChIKeyBTCZMNRWFXDRJN-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.25
Rot. Bonds7

About 1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine

1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine (PubChem CID 24805522) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine
PubChem CID24805522
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine
SMILESC=CCSc1ccccc1CNCc1ccccc1
InChIInChI=1S/C17H19NS/c1-2-12-19-17-11-7-6-10-16(17)14-18-13-15-8-4-3-5-9-15/h2-11,18H,1,12-14H2
InChIKeyBTCZMNRWFXDRJN-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 165476489
2-[(benzylamino)methyl]phenol chloride
CID 53350489
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-(2-prop-2-enylsulfanylphenyl)formamide
CID 64992563
1-ethenyl-2-prop-2-enylsulfanylbenzene
CID 69409682
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-(1-phenylbutan-2-yl)-2-prop-2-enylsulfanylaniline
CID 79008915
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
N-[(3-bromophenyl)methyl]-2-prop-2-enylsulfanylaniline
CID 63449356
N-[(3-fluorophenyl)methyl]-2-prop-2-enylsulfanylaniline
CID 60695888
N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine
CID 102481458
N-benzyl-2-methylpent-4-en-1-amine
CID 10487895

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine?
The IUPAC name of 1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine (CID 24805522) is 1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine is C=CCSc1ccccc1CNCc1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine?
The InChIKey is BTCZMNRWFXDRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-2-12-19-17-11-7-6-10-16(17)14-18-13-15-8-4-3-5-9-15/h2-11,18H,1,12-14H2.
What are the key properties of 1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine?
1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine is sourced from PubChem (CID 24805522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).