2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol

C14H21NO2 — CID 114750075

IUPAC2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCOc1cccc(CNCC2(CCO)CC2)c1
InChIInChI=1S/C14H21NO2/c1-17-13-4-2-3-12(9-13)10-15-11-14(5-6-14)7-8-16/h2-4,9,15-16H,5-8,10-11H2,1H3
InChIKeyFMQITCMDPXDCSX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds7

About 2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750075) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID114750075
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCOc1cccc(CNCC2(CCO)CC2)c1
InChIInChI=1S/C14H21NO2/c1-17-13-4-2-3-12(9-13)10-15-11-14(5-6-14)7-8-16/h2-4,9,15-16H,5-8,10-11H2,1H3
InChIKeyFMQITCMDPXDCSX-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750236
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine
CID 115244164
2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756110
2-[1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750274
3-[[(3-methoxyphenyl)methylamino]methyl]thiolan-3-ol
CID 111629704
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
CID 114750189
[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358849
cis-(1R,2S)-4-(2-methoxyethoxymethyl)-4-[[(3-methoxyphenyl)methylamino]methyl]cyclopentane-1,2-diol;hydrochloride
CID 127021192
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
2-[1-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750331
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol (CID 114750075) is 2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol is COc1cccc(CNCC2(CCO)CC2)c1.
What is the InChIKey of 2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is FMQITCMDPXDCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-13-4-2-3-12(9-13)10-15-11-14(5-6-14)7-8-16/h2-4,9,15-16H,5-8,10-11H2,1H3.
What are the key properties of 2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).