[1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol

C15H22BrNO2 — CID 115243735

IUPAC[1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
SMILESCOc1ccc(CCN(C)CC2(CO)CC2)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-17(10-15(11-18)6-7-15)8-5-12-3-4-14(19-2)13(16)9-12/h3-4,9,18H,5-8,10-11H2,1-2H3
InChIKeyPDVMOQIAWXCWGG-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.70
Rot. Bonds7

About [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol

[1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol (PubChem CID 115243735) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
PubChem CID115243735
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name[1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
SMILESCOc1ccc(CCN(C)CC2(CO)CC2)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-17(10-15(11-18)6-7-15)8-5-12-3-4-14(19-2)13(16)9-12/h3-4,9,18H,5-8,10-11H2,1-2H3
InChIKeyPDVMOQIAWXCWGG-UHFFFAOYSA-N
XLogP2.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-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-bromo-4-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243340
methyl 3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]propanoate
CID 115232567
3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115219611
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 117042265
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202831
[3-[(3-bromo-4-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248882
3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60740275
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224072

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol (CID 115243735) is [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol is COc1ccc(CCN(C)CC2(CO)CC2)cc1Br.
What is the InChIKey of [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol?
The InChIKey is PDVMOQIAWXCWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17(10-15(11-18)6-7-15)8-5-12-3-4-14(19-2)13(16)9-12/h3-4,9,18H,5-8,10-11H2,1-2H3.
What are the key properties of [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol?
[1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol has a molecular weight of 328.25 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).