2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone

C21H24N2O2 — CID 147593582

IUPAC2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone
SMILESN[C@@H]1C[C@H]1c1ccc(CC(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24N2O2/c22-20-14-19(20)16-3-1-15(2-4-16)13-21(24)17-5-7-18(8-6-17)23-9-11-25-12-10-23/h1-8,19-20H,9-14,22H2/t19-,20+/m0/s1
InChIKeyFYTIXYRXAOOYEO-VQTJNVASSA-N
MW336.44 g/mol
LogP2.76
Rot. Bonds5

About 2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone

2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone (PubChem CID 147593582) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone
PubChem CID147593582
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone
SMILESN[C@@H]1C[C@H]1c1ccc(CC(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24N2O2/c22-20-14-19(20)16-3-1-15(2-4-16)13-21(24)17-5-7-18(8-6-17)23-9-11-25-12-10-23/h1-8,19-20H,9-14,22H2/t19-,20+/m0/s1
InChIKeyFYTIXYRXAOOYEO-VQTJNVASSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone
CID 149139518
1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone
CID 149018348
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 158404708
4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine
CID 138973080
2-(4-piperidin-1-ylphenyl)cyclopropan-1-amine
CID 59628067
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
4-[(1S,2S)-2-aminocyclopropyl]benzoic acid
CID 124506637
5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489
(4-morpholin-4-ylphenyl)methylurea
CID 142276122

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone (CID 147593582) is 2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone is N[C@@H]1C[C@H]1c1ccc(CC(=O)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone?
The InChIKey is FYTIXYRXAOOYEO-VQTJNVASSA-N. The full InChI is InChI=1S/C21H24N2O2/c22-20-14-19(20)16-3-1-15(2-4-16)13-21(24)17-5-7-18(8-6-17)23-9-11-25-12-10-23/h1-8,19-20H,9-14,22H2/t19-,20+/m0/s1.
What are the key properties of 2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone?
2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone has a molecular weight of 336.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 147593582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).