2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol

C15H22ClNO3 — CID 114750331

IUPAC2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCOc1cc(CNCC2(CCO)CC2)cc(Cl)c1OC
InChIInChI=1S/C15H22ClNO3/c1-19-13-8-11(7-12(16)14(13)20-2)9-17-10-15(3-4-15)5-6-18/h7-8,17-18H,3-6,9-10H2,1-2H3
InChIKeyGYPZDHIGMJWCHV-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.61
Rot. Bonds8

About 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750331) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID114750331
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCOc1cc(CNCC2(CCO)CC2)cc(Cl)c1OC
InChIInChI=1S/C15H22ClNO3/c1-19-13-8-11(7-12(16)14(13)20-2)9-17-10-15(3-4-15)5-6-18/h7-8,17-18H,3-6,9-10H2,1-2H3
InChIKeyGYPZDHIGMJWCHV-UHFFFAOYSA-N
XLogP2.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478438
[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579336
2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750236
2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 99839662
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075
2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 103172793
2-[1-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750205
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718954
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527776
2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol
CID 4721160
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657416

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol (CID 114750331) is 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol is COc1cc(CNCC2(CCO)CC2)cc(Cl)c1OC.
What is the InChIKey of 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is GYPZDHIGMJWCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-19-13-8-11(7-12(16)14(13)20-2)9-17-10-15(3-4-15)5-6-18/h7-8,17-18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 299.80 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).