[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone

C17H17NO2 — CID 114523660

IUPAC[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
SMILESNCc1ccc(C(=O)c2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C17H17NO2/c18-11-12-4-6-13(7-5-12)17(19)14-2-1-3-16(10-14)20-15-8-9-15/h1-7,10,15H,8-9,11,18H2
InChIKeyJDCSUTZZWBYPOJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.92
Rot. Bonds5

About [4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone

[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone (PubChem CID 114523660) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
PubChem CID114523660
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
SMILESNCc1ccc(C(=O)c2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C17H17NO2/c18-11-12-4-6-13(7-5-12)17(19)14-2-1-3-16(10-14)20-15-8-9-15/h1-7,10,15H,8-9,11,18H2
InChIKeyJDCSUTZZWBYPOJ-UHFFFAOYSA-N
XLogP2.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523778
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
(5-chlorofuran-2-yl)-(3-cyclopropyloxyphenyl)methanone
CID 106691334
(3-cyclopropyloxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 115813103
(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
CID 105134421
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
3-cyclopentyloxybenzamide
CID 71932153
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone (CID 114523660) is [4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone is NCc1ccc(C(=O)c2cccc(OC3CC3)c2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone?
The InChIKey is JDCSUTZZWBYPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c18-11-12-4-6-13(7-5-12)17(19)14-2-1-3-16(10-14)20-15-8-9-15/h1-7,10,15H,8-9,11,18H2.
What are the key properties of [4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone?
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 114523660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).