[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol

C12H15ClFNO — CID 115454369

IUPAC[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H15ClFNO/c13-10-5-9(1-2-11(10)14)6-15-7-12(8-16)3-4-12/h1-2,5,15-16H,3-4,6-8H2
InChIKeyJLTXQOHWRYAWAG-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.34
Rot. Bonds5

About [1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 115454369) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is [1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID115454369
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H15ClFNO/c13-10-5-9(1-2-11(10)14)6-15-7-12(8-16)3-4-12/h1-2,5,15-16H,3-4,6-8H2
InChIKeyJLTXQOHWRYAWAG-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

[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
CID 86814252
1-[(3-chloro-4-fluorophenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618757
2-[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070910
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
1-(3-chloro-4-fluorophenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991536
[1-[[(4-chloro-3-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479604
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol (CID 115454369) is [1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of [1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is JLTXQOHWRYAWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-5-9(1-2-11(10)14)6-15-7-12(8-16)3-4-12/h1-2,5,15-16H,3-4,6-8H2.
What are the key properties of [1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol 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 [1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).