(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone

C17H21NO2 — CID 114523789

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone
SMILESNC1C2CCC(C2)C1C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H21NO2/c18-16-11-5-4-10(8-11)15(16)17(19)12-2-1-3-14(9-12)20-13-6-7-13/h1-3,9-11,13,15-16H,4-8,18H2
InChIKeyGQVHVGNDLDDNFC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds4

About (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone (PubChem CID 114523789) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone
PubChem CID114523789
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone
SMILESNC1C2CCC(C2)C1C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H21NO2/c18-16-11-5-4-10(8-11)15(16)17(19)12-2-1-3-14(9-12)20-13-6-7-13/h1-3,9-11,13,15-16H,4-8,18H2
InChIKeyGQVHVGNDLDDNFC-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097286
3-cyclopentyloxybenzamide
CID 71932153
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114521229
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
ethyl 2-[3-(oxan-4-yloxy)phenyl]-2-oxoacetate
CID 117445953
3-(oxan-4-yloxy)benzoic acid
CID 23149060
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
methyl 3-(3-aminocyclohexyl)oxybenzoate
CID 117053613
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone (CID 114523789) is (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone is NC1C2CCC(C2)C1C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone?
The InChIKey is GQVHVGNDLDDNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c18-16-11-5-4-10(8-11)15(16)17(19)12-2-1-3-14(9-12)20-13-6-7-13/h1-3,9-11,13,15-16H,4-8,18H2.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-(3-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 114523789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).