methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate

C13H17NO2 — CID 90071602

IUPACmethyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(C)cc2)CC1CN
InChIInChI=1S/C13H17NO2/c1-9-3-5-10(6-4-9)13(12(15)16-2)7-11(13)8-14/h3-6,11H,7-8,14H2,1-2H3
InChIKeyFGCJQBOZSLEORZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.38
Rot. Bonds3

About methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate

methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate (PubChem CID 90071602) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate
PubChem CID90071602
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(C)cc2)CC1CN
InChIInChI=1S/C13H17NO2/c1-9-3-5-10(6-4-9)13(12(15)16-2)7-11(13)8-14/h3-6,11H,7-8,14H2,1-2H3
InChIKeyFGCJQBOZSLEORZ-UHFFFAOYSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 45264881
(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 45264880
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride
CID 45261540
methyl (1S)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxylate;oxalic acid
CID 146160203
cis-methyl (1R,2S)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxylate;oxalic acid
CID 46901462
methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
CID 45261511
cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide
CID 3033807
trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate
CID 71464996
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
cis-ethyl (1R,2S)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxylate;hydrochloride
CID 13218479
methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 158871678

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate (CID 90071602) is methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(C)cc2)CC1CN.
What is the InChIKey of methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate?
The InChIKey is FGCJQBOZSLEORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-3-5-10(6-4-9)13(12(15)16-2)7-11(13)8-14/h3-6,11H,7-8,14H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate?
methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 90071602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).