N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine

C18H23NS — CID 115849651

IUPACN-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1ccccc1SC
InChIInChI=1S/C18H23NS/c1-19-17(16-12-6-7-14-18(16)20-2)13-8-11-15-9-4-3-5-10-15/h3-7,9-10,12,14,17,19H,8,11,13H2,1-2H3
InChIKeyMCEWZDSKHSRMRL-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.69
Rot. Bonds7

About N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine

N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine (PubChem CID 115849651) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine
PubChem CID115849651
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1ccccc1SC
InChIInChI=1S/C18H23NS/c1-19-17(16-12-6-7-14-18(16)20-2)13-8-11-15-9-4-3-5-10-15/h3-7,9-10,12,14,17,19H,8,11,13H2,1-2H3
InChIKeyMCEWZDSKHSRMRL-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849363
1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849318
N-methyl-1-(2-methylsulfanylphenyl)hex-4-yn-1-amine
CID 105037585
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503
1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 105139852
1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849428
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 107503560
N,3-dimethyl-6-phenylhexan-2-amine
CID 61485141
1-methylsulfanyl-2-(3-phenylpropyl)benzene
CID 174929017
2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 79217018
N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
CID 115794332
1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794483

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine?
The IUPAC name of N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine (CID 115849651) is N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine is CNC(CCCc1ccccc1)c1ccccc1SC.
What is the InChIKey of N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine?
The InChIKey is MCEWZDSKHSRMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-19-17(16-12-6-7-14-18(16)20-2)13-8-11-15-9-4-3-5-10-15/h3-7,9-10,12,14,17,19H,8,11,13H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine?
N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 115849651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).