1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide

C15H21FN2O — CID 115182798

IUPAC1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCc1cc(CCN(C)C(=O)C2(CN)CC2)ccc1F
InChIInChI=1S/C15H21FN2O/c1-11-9-12(3-4-13(11)16)5-8-18(2)14(19)15(10-17)6-7-15/h3-4,9H,5-8,10,17H2,1-2H3
InChIKeyQIAYRLVHPGBBFV-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.87
Rot. Bonds5

About 1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide

1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 115182798) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID115182798
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCc1cc(CCN(C)C(=O)C2(CN)CC2)ccc1F
InChIInChI=1S/C15H21FN2O/c1-11-9-12(3-4-13(11)16)5-8-18(2)14(19)15(10-17)6-7-15/h3-4,9H,5-8,10,17H2,1-2H3
InChIKeyQIAYRLVHPGBBFV-UHFFFAOYSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 120926401
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120926400
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141021
3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide
CID 115185772
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120930723
[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol
CID 115229428
2-cyano-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylbutanamide
CID 115188435
[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine
CID 90212397
2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040092
N-[2-(4-ethylphenyl)ethyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182438
4-[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218770
1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182616

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide (CID 115182798) is 1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide is Cc1cc(CCN(C)C(=O)C2(CN)CC2)ccc1F.
What is the InChIKey of 1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is QIAYRLVHPGBBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-9-12(3-4-13(11)16)5-8-18(2)14(19)15(10-17)6-7-15/h3-4,9H,5-8,10,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115182798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).