1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide

C17H18N2O2 — CID 80588714

IUPAC1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C17H18N2O2/c18-12-17(9-10-17)16(20)19-13-5-4-8-15(11-13)21-14-6-2-1-3-7-14/h1-8,11H,9-10,12,18H2,(H,19,20)
InChIKeyVTWVNTFUXIZOPS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.16
Rot. Bonds5

About 1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 80588714) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide
PubChem CID80588714
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C17H18N2O2/c18-12-17(9-10-17)16(20)19-13-5-4-8-15(11-13)21-14-6-2-1-3-7-14/h1-8,11H,9-10,12,18H2,(H,19,20)
InChIKeyVTWVNTFUXIZOPS-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[4-(3-fluorophenoxy)phenyl]oxane-4-carboxamide
CID 120926677
1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158
1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
CID 115447865
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]oxane-4-carboxamide
CID 120921235
4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
CID 120924293
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115452538
1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844438
1-(aminomethyl)-N-(9H-fluoren-2-yl)cyclopropane-1-carboxamide
CID 80588288
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
4-(aminomethyl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]oxane-4-carboxamide;hydrochloride
CID 120922910
4-(aminomethyl)-N-[3-[(3-methylphenyl)methoxy]phenyl]oxane-4-carboxamide
CID 120932465
3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide
CID 63680730

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide (CID 80588714) is 1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide is NCC1(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is VTWVNTFUXIZOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-12-17(9-10-17)16(20)19-13-5-4-8-15(11-13)21-14-6-2-1-3-7-14/h1-8,11H,9-10,12,18H2,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80588714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).