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

C13H18ClNO2 — CID 79479405

IUPAC[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCOc1ccc(CNCC2(CO)CC2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-17-12-3-2-10(6-11(12)14)7-15-8-13(9-16)4-5-13/h2-3,6,15-16H,4-5,7-9H2,1H3
InChIKeyWJTJJROUDDZXTQ-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.21
Rot. Bonds6

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

[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 79479405) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID79479405
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCOc1ccc(CNCC2(CO)CC2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-17-12-3-2-10(6-11(12)14)7-15-8-13(9-16)4-5-13/h2-3,6,15-16H,4-5,7-9H2,1H3
InChIKeyWJTJJROUDDZXTQ-UHFFFAOYSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478438
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579392
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579336
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 113313423
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243464
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol (CID 79479405) is [1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol is COc1ccc(CNCC2(CO)CC2)cc1Cl.
What is the InChIKey of [1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is WJTJJROUDDZXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-12-3-2-10(6-11(12)14)7-15-8-13(9-16)4-5-13/h2-3,6,15-16H,4-5,7-9H2,1H3.
What are the key properties of [1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 255.74 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 79479405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).