1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol

C15H18ClNOS — CID 62630994

IUPAC1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccccc1Cl)Cc1cccs1
InChIInChI=1S/C15H18ClNOS/c1-17(11-12-5-4-10-19-12)9-8-15(18)13-6-2-3-7-14(13)16/h2-7,10,15,18H,8-9,11H2,1H3
InChIKeyCTWWHKFSAZYSBP-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.96
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol

1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol (PubChem CID 62630994) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
PubChem CID62630994
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccccc1Cl)Cc1cccs1
InChIInChI=1S/C15H18ClNOS/c1-17(11-12-5-4-10-19-12)9-8-15(18)13-6-2-3-7-14(13)16/h2-7,10,15,18H,8-9,11H2,1H3
InChIKeyCTWWHKFSAZYSBP-UHFFFAOYSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62644997
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol
CID 55099549
1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 82776938
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 83126443
1-(2-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645349
1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol
CID 55098928
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939689

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol (CID 62630994) is 1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol is CN(CCC(O)c1ccccc1Cl)Cc1cccs1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol?
The InChIKey is CTWWHKFSAZYSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-17(11-12-5-4-10-19-12)9-8-15(18)13-6-2-3-7-14(13)16/h2-7,10,15,18H,8-9,11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol?
1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol has a molecular weight of 295.84 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 62630994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).