1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide

C14H20N2O2 — CID 113312751

IUPAC1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
SMILESCCCOc1ccccc1NC(=O)C1(CN)CC1
InChIInChI=1S/C14H20N2O2/c1-2-9-18-12-6-4-3-5-11(12)16-13(17)14(10-15)7-8-14/h3-6H,2,7-10,15H2,1H3,(H,16,17)
InChIKeyQWVXTPRFVMRHGV-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.15
Rot. Bonds6

About 1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 113312751) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
PubChem CID113312751
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
SMILESCCCOc1ccccc1NC(=O)C1(CN)CC1
InChIInChI=1S/C14H20N2O2/c1-2-9-18-12-6-4-3-5-11(12)16-13(17)14(10-15)7-8-14/h3-6H,2,7-10,15H2,1H3,(H,16,17)
InChIKeyQWVXTPRFVMRHGV-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide
CID 115452598
1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
CID 115452417
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
CID 81179040
1-amino-3-methyl-N-(2-propoxyphenyl)cyclohexane-1-carboxamide
CID 64551079
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 113312782
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate
CID 4589541
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide (CID 113312751) is 1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide is CCCOc1ccccc1NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is QWVXTPRFVMRHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-9-18-12-6-4-3-5-11(12)16-13(17)14(10-15)7-8-14/h3-6H,2,7-10,15H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113312751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).