2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine

C19H25NS — CID 70448173

IUPAC2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine
SMILESCc1ccc(SCC(Cc2ccccc2)CN(C)C)cc1
InChIInChI=1S/C19H25NS/c1-16-9-11-19(12-10-16)21-15-18(14-20(2)3)13-17-7-5-4-6-8-17/h4-12,18H,13-15H2,1-3H3
InChIKeyRGHMJMQVLJNEGW-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.51
Rot. Bonds7

About 2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine

2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine (PubChem CID 70448173) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine
PubChem CID70448173
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine
SMILESCc1ccc(SCC(Cc2ccccc2)CN(C)C)cc1
InChIInChI=1S/C19H25NS/c1-16-9-11-19(12-10-16)21-15-18(14-20(2)3)13-17-7-5-4-6-8-17/h4-12,18H,13-15H2,1-3H3
InChIKeyRGHMJMQVLJNEGW-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
2-benzyl-N',N'-dimethylpropane-1,3-diamine
CID 23008665
1-benzylsulfanyl-4-methylbenzene
CID 10940369
(2R)-2-benzyl-N,N-dimethylhexan-1-amine
CID 10021640
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
2-benzyl-N,N-dimethyloctadecan-1-amine
CID 67604141
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 141033426
N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
CID 173427481
1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
CID 162410054
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 67203789

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine?
The IUPAC name of 2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine (CID 70448173) is 2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine.
What is the SMILES notation for 2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine?
The canonical SMILES for 2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine is Cc1ccc(SCC(Cc2ccccc2)CN(C)C)cc1.
What is the InChIKey of 2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine?
The InChIKey is RGHMJMQVLJNEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-16-9-11-19(12-10-16)21-15-18(14-20(2)3)13-17-7-5-4-6-8-17/h4-12,18H,13-15H2,1-3H3.
What are the key properties of 2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine?
2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 70448173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).