2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol

C12H15ClFNO — CID 114452879

IUPAC2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
SMILESOC(CNCc1cc(F)cc(Cl)c1)C1CC1
InChIInChI=1S/C12H15ClFNO/c13-10-3-8(4-11(14)5-10)6-15-7-12(16)9-1-2-9/h3-5,9,12,15-16H,1-2,6-7H2
InChIKeyLAHZGIAVZKOCQL-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.34
Rot. Bonds5

About 2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol

2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol (PubChem CID 114452879) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
PubChem CID114452879
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
SMILESOC(CNCc1cc(F)cc(Cl)c1)C1CC1
InChIInChI=1S/C12H15ClFNO/c13-10-3-8(4-11(14)5-10)6-15-7-12(16)9-1-2-9/h3-5,9,12,15-16H,1-2,6-7H2
InChIKeyLAHZGIAVZKOCQL-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
CID 104938141
1-cyclopentyl-2-[(4-fluorophenyl)methylamino]ethanol
CID 111425447
[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 114452962
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 114452786
3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
CID 104938136
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 65021909
2-[(2-bromo-5-chlorophenyl)methylamino]-1-cyclopropylethanol
CID 66159586
2-[(2-bromo-4-chlorophenyl)methylamino]-1-cyclopropylethanol
CID 81499030
1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 114452251
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol (CID 114452879) is 2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol is OC(CNCc1cc(F)cc(Cl)c1)C1CC1.
What is the InChIKey of 2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol?
The InChIKey is LAHZGIAVZKOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-3-8(4-11(14)5-10)6-15-7-12(16)9-1-2-9/h3-5,9,12,15-16H,1-2,6-7H2.
What are the key properties of 2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol?
2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol has a molecular weight of 243.71 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 114452879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).