[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol

C15H22ClNO3 — CID 111579336

IUPAC[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCCOc1c(Cl)cc(CNCC2(CO)CC2)cc1OC
InChIInChI=1S/C15H22ClNO3/c1-3-20-14-12(16)6-11(7-13(14)19-2)8-17-9-15(10-18)4-5-15/h6-7,17-18H,3-5,8-10H2,1-2H3
InChIKeyODLYCQAVGJHNKU-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.61
Rot. Bonds8

About [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 111579336) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID111579336
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCCOc1c(Cl)cc(CNCC2(CO)CC2)cc1OC
InChIInChI=1S/C15H22ClNO3/c1-3-20-14-12(16)6-11(7-13(14)19-2)8-17-9-15(10-18)4-5-15/h6-7,17-18H,3-5,8-10H2,1-2H3
InChIKeyODLYCQAVGJHNKU-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 [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478438
2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750331
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol
CID 4721160
1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
CID 4717439
N'-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215592
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717186
2-[2-chloro-6-methoxy-4-[[(1-methylcyclopropyl)methylamino]methyl]phenoxy]acetamide
CID 103724240
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 17208572
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide
CID 119293697
[1-[[(4-ethoxy-3-methylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243464

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol (CID 111579336) is [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol is CCOc1c(Cl)cc(CNCC2(CO)CC2)cc1OC.
What is the InChIKey of [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is ODLYCQAVGJHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-3-20-14-12(16)6-11(7-13(14)19-2)8-17-9-15(10-18)4-5-15/h6-7,17-18H,3-5,8-10H2,1-2H3.
What are the key properties of [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol 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 [1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 111579336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).