[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone

C18H19NO2 — CID 114523778

IUPAC[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
SMILESNCCc1ccc(C(=O)c2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C18H19NO2/c19-11-10-13-4-6-14(7-5-13)18(20)15-2-1-3-17(12-15)21-16-8-9-16/h1-7,12,16H,8-11,19H2
InChIKeyMVNDGPBTJAIEKE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds6

About [4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone

[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone (PubChem CID 114523778) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
PubChem CID114523778
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
SMILESNCCc1ccc(C(=O)c2cccc(OC3CC3)c2)cc1
InChIInChI=1S/C18H19NO2/c19-11-10-13-4-6-14(7-5-13)18(20)15-2-1-3-17(12-15)21-16-8-9-16/h1-7,12,16H,8-11,19H2
InChIKeyMVNDGPBTJAIEKE-UHFFFAOYSA-N
XLogP2.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
(5-chlorofuran-2-yl)-(3-cyclopropyloxyphenyl)methanone
CID 106691334
(3-cyclopropyloxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 115813103
1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
CID 105134475
(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
CID 105134421
1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
CID 105134432
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
3-cyclopentyloxybenzamide
CID 71932153

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone?
The IUPAC name of [4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone (CID 114523778) is [4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone?
The canonical SMILES for [4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone is NCCc1ccc(C(=O)c2cccc(OC3CC3)c2)cc1.
What is the InChIKey of [4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone?
The InChIKey is MVNDGPBTJAIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c19-11-10-13-4-6-14(7-5-13)18(20)15-2-1-3-17(12-15)21-16-8-9-16/h1-7,12,16H,8-11,19H2.
What are the key properties of [4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone?
[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 114523778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).