[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol

C12H11Cl2NOS — CID 111777982

IUPAC[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol
SMILESOCc1ccc(Cl)c(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C12H11Cl2NOS/c13-10-3-1-8(7-16)5-11(10)15-6-9-2-4-12(14)17-9/h1-5,15-16H,6-7H2
InChIKeyLUOASSXWZVXVQT-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.16
Rot. Bonds4

About [4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol

[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol (PubChem CID 111777982) has the molecular formula C12H11Cl2NOS and a molecular weight of 288.20 g/mol. Its IUPAC name is [4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol
PubChem CID111777982
Molecular FormulaC12H11Cl2NOS
Molecular Weight288.20 g/mol
Exact Mass286.99
IUPAC Name[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol
SMILESOCc1ccc(Cl)c(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C12H11Cl2NOS/c13-10-3-1-8(7-16)5-11(10)15-6-9-2-4-12(14)17-9/h1-5,15-16H,6-7H2
InChIKeyLUOASSXWZVXVQT-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
CID 115877219
4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 43720922
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674460
[4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanol
CID 110929576
[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
CID 111466189
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyridin-4-amine
CID 79839873
[3-(but-3-enylamino)-4-chlorophenyl]methanol
CID 111448182
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline
CID 107632198
[4-chloro-3-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methylamino]phenyl]methanol
CID 71985215
3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol
CID 43741643
4-bromo-2-[(5-chlorothiophen-2-yl)methylamino]benzenecarbothioamide
CID 114903266
5-bromo-2-[(5-chlorothiophen-2-yl)methylamino]benzenecarbothioamide
CID 114891829

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol?
The IUPAC name of [4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol (CID 111777982) is [4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol?
The canonical SMILES for [4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol is OCc1ccc(Cl)c(NCc2ccc(Cl)s2)c1.
What is the InChIKey of [4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol?
The InChIKey is LUOASSXWZVXVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NOS/c13-10-3-1-8(7-16)5-11(10)15-6-9-2-4-12(14)17-9/h1-5,15-16H,6-7H2.
What are the key properties of [4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol?
[4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol has a molecular weight of 288.20 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 111777982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).