(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone

C17H17NO2 — CID 114520639

IUPAC(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C17H17NO2/c1-11-2-9-16(18)15(10-11)17(19)12-3-5-13(6-4-12)20-14-7-8-14/h2-6,9-10,14H,7-8,18H2,1H3
InChIKeyCGOZYPJIZHFAGP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds4

About (2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone

(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone (PubChem CID 114520639) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
PubChem CID114520639
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C17H17NO2/c1-11-2-9-16(18)15(10-11)17(19)12-3-5-13(6-4-12)20-14-7-8-14/h2-6,9-10,14H,7-8,18H2,1H3
InChIKeyCGOZYPJIZHFAGP-UHFFFAOYSA-N
XLogP3.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114518849
(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 107469288
(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812872
(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812909
(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520685
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105134407
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114518942
(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812876

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone (CID 114520639) is (2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone is Cc1ccc(N)c(C(=O)c2ccc(OC3CC3)cc2)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone?
The InChIKey is CGOZYPJIZHFAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-2-9-16(18)15(10-11)17(19)12-3-5-13(6-4-12)20-14-7-8-14/h2-6,9-10,14H,7-8,18H2,1H3.
What are the key properties of (2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone?
(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 114520639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).