1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide

C15H22N2O2 — CID 115182693

IUPAC1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1c(C)cc(C)cc1CNC(=O)C1(CN)CC1
InChIInChI=1S/C15H22N2O2/c1-10-6-11(2)13(19-3)12(7-10)8-17-14(18)15(9-16)4-5-15/h6-7H,4-5,8-9,16H2,1-3H3,(H,17,18)
InChIKeyJTOUVJRJIZLOCM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.67
Rot. Bonds5

About 1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 115182693) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID115182693
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1c(C)cc(C)cc1CNC(=O)C1(CN)CC1
InChIInChI=1S/C15H22N2O2/c1-10-6-11(2)13(19-3)12(7-10)8-17-14(18)15(9-16)4-5-15/h6-7H,4-5,8-9,16H2,1-3H3,(H,17,18)
InChIKeyJTOUVJRJIZLOCM-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115181583
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975
[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone
CID 116921250
1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189955
1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668
2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide
CID 115186984
1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide
CID 115453520
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
(E)-4-[(2-methoxy-3,5-dimethylphenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177212
4-methoxy-N-[(2-methoxy-3,5-dimethylphenyl)methyl]benzamide
CID 110782841
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide (CID 115182693) is 1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide is COc1c(C)cc(C)cc1CNC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is JTOUVJRJIZLOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-11(2)13(19-3)12(7-10)8-17-14(18)15(9-16)4-5-15/h6-7H,4-5,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115182693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).