2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol

C13H14ClNOS — CID 79419830

IUPAC2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol
SMILESOCCc1ccc(NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C13H14ClNOS/c14-11-7-13(17-9-11)8-15-12-3-1-10(2-4-12)5-6-16/h1-4,7,9,15-16H,5-6,8H2
InChIKeyGNCSPNXNOPQTDQ-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.55
Rot. Bonds5

About 2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol

2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol (PubChem CID 79419830) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol
PubChem CID79419830
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol
SMILESOCCc1ccc(NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C13H14ClNOS/c14-11-7-13(17-9-11)8-15-12-3-1-10(2-4-12)5-6-16/h1-4,7,9,15-16H,5-6,8H2
InChIKeyGNCSPNXNOPQTDQ-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 79420119
4-N-[(4-chlorothiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486438
N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79419634
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]ethanol
CID 103845164
N-[(4-chlorothiophen-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 79419517
3-bromo-N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 104775781
4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 79420418
2-[4-[(2,3,6-trichlorophenyl)methylamino]phenyl]ethanol
CID 78968853
6-[(4-chlorothiophen-2-yl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 79419720
4-bromo-N-[(4-chlorothiophen-2-yl)methyl]-3-methoxyaniline
CID 82857510
3-(4-chlorothiophen-2-yl)propan-1-ol
CID 55267045
2,4,6-trichloro-N-[(4-chlorothiophen-2-yl)methyl]aniline
CID 79420568

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol (CID 79419830) is 2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol is OCCc1ccc(NCc2cc(Cl)cs2)cc1.
What is the InChIKey of 2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol?
The InChIKey is GNCSPNXNOPQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c14-11-7-13(17-9-11)8-15-12-3-1-10(2-4-12)5-6-16/h1-4,7,9,15-16H,5-6,8H2.
What are the key properties of 2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol?
2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol has a molecular weight of 267.78 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol is sourced from PubChem (CID 79419830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).