[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol

C14H21NO4 — CID 115762979

IUPAC[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol
SMILESCOc1cc(CNC2(CO)CC2)cc(OC)c1OC
InChIInChI=1S/C14H21NO4/c1-17-11-6-10(7-12(18-2)13(11)19-3)8-15-14(9-16)4-5-14/h6-7,15-16H,4-5,8-9H2,1-3H3
InChIKeyMZKPWNAELTVFNU-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.33
Rot. Bonds7

About [1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol

[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol (PubChem CID 115762979) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is [1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol
PubChem CID115762979
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol
SMILESCOc1cc(CNC2(CO)CC2)cc(OC)c1OC
InChIInChI=1S/C14H21NO4/c1-17-11-6-10(7-12(18-2)13(11)19-3)8-15-14(9-16)4-5-14/h6-7,15-16H,4-5,8-9H2,1-3H3
InChIKeyMZKPWNAELTVFNU-UHFFFAOYSA-N
XLogP1.33
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]cyclopropyl]methanol
CID 115763038
[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
[1-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexyl]methanol
CID 115909570
[1-[(3-ethoxy-4-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 62519917
[1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733194
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
[1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol
CID 116929645
[1-[(3,5-dibromo-4-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62552336
[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478438
[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]cyclopropyl]methanol
CID 115763173
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
CID 17155563
[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
CID 115733413

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol (CID 115762979) is [1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol is COc1cc(CNC2(CO)CC2)cc(OC)c1OC.
What is the InChIKey of [1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol?
The InChIKey is MZKPWNAELTVFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-17-11-6-10(7-12(18-2)13(11)19-3)8-15-14(9-16)4-5-14/h6-7,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of [1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol?
[1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol has a molecular weight of 267.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4,5-trimethoxyphenyl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115762979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).