N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine

C13H21NS — CID 78876742

IUPACN-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine
SMILESCSCCN(C)CCCc1ccccc1
InChIInChI=1S/C13H21NS/c1-14(11-12-15-2)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyRZVYKAMGYMHONI-UHFFFAOYSA-N
MW223.38 g/mol
LogP2.91
Rot. Bonds7

About N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine

N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine (PubChem CID 78876742) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine
PubChem CID78876742
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine
SMILESCSCCN(C)CCCc1ccccc1
InChIInChI=1S/C13H21NS/c1-14(11-12-15-2)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyRZVYKAMGYMHONI-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
CID 174059369
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
1-N-methyl-1-N-(3-methylsulfanylpropyl)-3-phenylpropane-1,2-diamine
CID 114237563
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000
but-2-enedioic acid;N-methyl-N-(2-phenylethyl)-3-phenylsulfanylpropan-1-amine
CID 70089949
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
CID 77093539
methyl 2-[methyl(3-phenylpropyl)amino]acetate
CID 60697820
bis(N-methyl-N-(4-phenylbutyl)nonan-1-amine);oxalic acid
CID 173427638
N'-benzyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 131207952
N,N-dimethyl-3-phenylpropan-1-amine;nitric acid
CID 173132707
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
CID 24731956

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine (CID 78876742) is N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine is CSCCN(C)CCCc1ccccc1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine?
The InChIKey is RZVYKAMGYMHONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-14(11-12-15-2)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine?
N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 78876742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).