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

C14H20ClNO3 — CID 79478438

IUPAC[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCOc1cc(CNCC2(CO)CC2)cc(Cl)c1OC
InChIInChI=1S/C14H20ClNO3/c1-18-12-6-10(5-11(15)13(12)19-2)7-16-8-14(9-17)3-4-14/h5-6,16-17H,3-4,7-9H2,1-2H3
InChIKeyVBGXIPUNQJEZLE-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.22
Rot. Bonds7

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

[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 79478438) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is [1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID79478438
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESCOc1cc(CNCC2(CO)CC2)cc(Cl)c1OC
InChIInChI=1S/C14H20ClNO3/c1-18-12-6-10(5-11(15)13(12)19-2)7-16-8-14(9-17)3-4-14/h5-6,16-17H,3-4,7-9H2,1-2H3
InChIKeyVBGXIPUNQJEZLE-UHFFFAOYSA-N
XLogP2.22
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579336
2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750331
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527776
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657416
[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579392
2-[2-chloro-6-methoxy-4-[[(1-methylcyclopropyl)methylamino]methyl]phenoxy]acetamide
CID 103724240
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904164
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17210561
1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2-phenylpropan-2-ol
CID 111121700

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol (CID 79478438) is [1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol is COc1cc(CNCC2(CO)CC2)cc(Cl)c1OC.
What is the InChIKey of [1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is VBGXIPUNQJEZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-12-6-10(5-11(15)13(12)19-2)7-16-8-14(9-17)3-4-14/h5-6,16-17H,3-4,7-9H2,1-2H3.
What are the key properties of [1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 285.77 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 79478438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).