methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate

C14H18BrNO2 — CID 115247625

IUPACmethyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)Cc2cccc(Br)c2)CC1
InChIInChI=1S/C14H18BrNO2/c1-16(9-11-4-3-5-12(15)8-11)10-14(6-7-14)13(17)18-2/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeyPHMJNFYWVWHWRF-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.83
Rot. Bonds5

About methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate

methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate (PubChem CID 115247625) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
PubChem CID115247625
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Namemethyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CN(C)Cc2cccc(Br)c2)CC1
InChIInChI=1S/C14H18BrNO2/c1-16(9-11-4-3-5-12(15)8-11)10-14(6-7-14)13(17)18-2/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeyPHMJNFYWVWHWRF-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate 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

methyl 1-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247618
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 65002738
methyl 3-[(3-bromophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79619783
methyl 1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247629
methyl 1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247640
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
methyl 4-[(3-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 94721985
N-[(3-bromophenyl)methyl]-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103520091
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679525
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-yl]methyl]ethanamine
CID 62390459

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate (CID 115247625) is methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate is COC(=O)C1(CN(C)Cc2cccc(Br)c2)CC1.
What is the InChIKey of methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate?
The InChIKey is PHMJNFYWVWHWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-16(9-11-4-3-5-12(15)8-11)10-14(6-7-14)13(17)18-2/h3-5,8H,6-7,9-10H2,1-2H3.
What are the key properties of methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate?
methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate has a molecular weight of 312.21 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 115247625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).