(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone

C15H22N2O — CID 28801220

IUPAC(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
SMILESN[C@H](C(=O)N1CCCCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c16-14(13-9-5-4-6-10-13)15(18)17-11-7-2-1-3-8-12-17/h4-6,9-10,14H,1-3,7-8,11-12,16H2/t14-/m0/s1
InChIKeyOAYNQEVPTYJAGT-AWEZNQCLSA-N
MW246.35 g/mol
LogP2.48
Rot. Bonds2

About (2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone

(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone (PubChem CID 28801220) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
PubChem CID28801220
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
SMILESN[C@H](C(=O)N1CCCCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c16-14(13-9-5-4-6-10-13)15(18)17-11-7-2-1-3-8-12-17/h4-6,9-10,14H,1-3,7-8,11-12,16H2/t14-/m0/s1
InChIKeyOAYNQEVPTYJAGT-AWEZNQCLSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898929
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride
CID 119315120
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-phenylethanone;hydrochloride
CID 119322888
2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 75518092
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone?
The IUPAC name of (2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone (CID 28801220) is (2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone.
What is the SMILES notation for (2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone?
The canonical SMILES for (2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone is N[C@H](C(=O)N1CCCCCCC1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone?
The InChIKey is OAYNQEVPTYJAGT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O/c16-14(13-9-5-4-6-10-13)15(18)17-11-7-2-1-3-8-12-17/h4-6,9-10,14H,1-3,7-8,11-12,16H2/t14-/m0/s1.
What are the key properties of (2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone?
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone has a molecular weight of 246.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone is sourced from PubChem (CID 28801220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).