1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine

C14H23NS — CID 116831500

IUPAC1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11(2)10-12-4-6-13(7-5-12)14(15)8-9-16-3/h4-7,11,14H,8-10,15H2,1-3H3
InChIKeySOEMLXCLUNYCDN-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.64
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine

1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine (PubChem CID 116831500) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
PubChem CID116831500
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11(2)10-12-4-6-13(7-5-12)14(15)8-9-16-3/h4-7,11,14H,8-10,15H2,1-3H3
InChIKeySOEMLXCLUNYCDN-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-methylsulfanylpropan-1-amine
CID 105092577
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
3-methyl-1-methylsulfanylbutane;2-methylpropylbenzene
CID 159689951
3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105142670
2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol
CID 64614387
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 28931162
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207070
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine (CID 116831500) is 1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine is CSCCC(N)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is SOEMLXCLUNYCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(2)10-12-4-6-13(7-5-12)14(15)8-9-16-3/h4-7,11,14H,8-10,15H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine?
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 116831500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).