(1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone

C14H19NO3 — CID 175275653

IUPAC(1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1(N)CCC(O)CC1
InChIInChI=1S/C14H19NO3/c1-18-12-5-3-2-4-11(12)13(17)14(15)8-6-10(16)7-9-14/h2-5,10,16H,6-9,15H2,1H3
InChIKeyFMQCDSFXBXICLB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.51
Rot. Bonds3

About (1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone

(1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone (PubChem CID 175275653) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone
PubChem CID175275653
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1(N)CCC(O)CC1
InChIInChI=1S/C14H19NO3/c1-18-12-5-3-2-4-11(12)13(17)14(15)8-6-10(16)7-9-14/h2-5,10,16H,6-9,15H2,1H3
InChIKeyFMQCDSFXBXICLB-UHFFFAOYSA-N
XLogP1.51
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
CID 103450061
(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanone
CID 63410127
CID 175241707
CID 175241707
(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone
CID 116924278
(1-aminocyclopropyl)-(2-chloro-6-methoxyphenyl)methanone
CID 130730363
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
CID 107003800

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone?
The IUPAC name of (1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone (CID 175275653) is (1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)C1(N)CCC(O)CC1.
What is the InChIKey of (1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone?
The InChIKey is FMQCDSFXBXICLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-12-5-3-2-4-11(12)13(17)14(15)8-6-10(16)7-9-14/h2-5,10,16H,6-9,15H2,1H3.
What are the key properties of (1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone?
(1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-hydroxycyclohexyl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 175275653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).