3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol

C14H23NOS — CID 112665072

IUPAC3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol
SMILESCSCCN(C)CCC(O)c1cccc(C)c1
InChIInChI=1S/C14H23NOS/c1-12-5-4-6-13(11-12)14(16)7-8-15(2)9-10-17-3/h4-6,11,14,16H,7-10H2,1-3H3
InChIKeyHBLNRZXJPWLELF-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.71
Rot. Bonds7

About 3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol

3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol (PubChem CID 112665072) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol
PubChem CID112665072
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol
SMILESCSCCN(C)CCC(O)c1cccc(C)c1
InChIInChI=1S/C14H23NOS/c1-12-5-4-6-13(11-12)14(16)7-8-15(2)9-10-17-3/h4-6,11,14,16H,7-10H2,1-3H3
InChIKeyHBLNRZXJPWLELF-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624007
1-(3-bromophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 114238120
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624727
1-(3-methylphenyl)decan-1-ol
CID 63411280
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
CID 82754768
1-N-methyl-1-(3-methylphenyl)-1-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112657487
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
CID 114473799
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574
N'-methyl-N-(3-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666020
1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol
CID 63900161

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol (CID 112665072) is 3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol is CSCCN(C)CCC(O)c1cccc(C)c1.
What is the InChIKey of 3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol?
The InChIKey is HBLNRZXJPWLELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-12-5-4-6-13(11-12)14(16)7-8-15(2)9-10-17-3/h4-6,11,14,16H,7-10H2,1-3H3.
What are the key properties of 3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol?
3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 112665072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).