[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol

C12H12ClNOS — CID 115877219

IUPAC[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
SMILESOCc1ccc(Cl)c(NCc2cccs2)c1
InChIInChI=1S/C12H12ClNOS/c13-11-4-3-9(8-15)6-12(11)14-7-10-2-1-5-16-10/h1-6,14-15H,7-8H2
InChIKeyCPVVKDMUPACJQE-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.51
Rot. Bonds4

About [4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol

[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol (PubChem CID 115877219) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is [4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
PubChem CID115877219
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
SMILESOCc1ccc(Cl)c(NCc2cccs2)c1
InChIInChI=1S/C12H12ClNOS/c13-11-4-3-9(8-15)6-12(11)14-7-10-2-1-5-16-10/h1-6,14-15H,7-8H2
InChIKeyCPVVKDMUPACJQE-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 111777982
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[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
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[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
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[3-(but-3-enylamino)-4-chlorophenyl]methanol
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4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
CID 67131835
4-chloro-2-(thiophen-2-ylmethylamino)benzonitrile
CID 43681526
5-chloro-2-methylsulfanyl-N-(thiophen-2-ylmethyl)aniline
CID 115744120
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CID 43242469

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol?
The IUPAC name of [4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol (CID 115877219) is [4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol.
What is the SMILES notation for [4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol?
The canonical SMILES for [4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol is OCc1ccc(Cl)c(NCc2cccs2)c1.
What is the InChIKey of [4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol?
The InChIKey is CPVVKDMUPACJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c13-11-4-3-9(8-15)6-12(11)14-7-10-2-1-5-16-10/h1-6,14-15H,7-8H2.
What are the key properties of [4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol?
[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol has a molecular weight of 253.75 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol is sourced from PubChem (CID 115877219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).