3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol

C18H24N2O2 — CID 142242604

IUPAC3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol
SMILESNC(Cc1ccccc1)C(O)CNOCCc1ccccc1
InChIInChI=1S/C18H24N2O2/c19-17(13-16-9-5-2-6-10-16)18(21)14-20-22-12-11-15-7-3-1-4-8-15/h1-10,17-18,20-21H,11-14,19H2
InChIKeyDPURGGQNGCEIKP-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.68
Rot. Bonds9

About 3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol

3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol (PubChem CID 142242604) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol.

Molecular Properties

Compound Name3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol
PubChem CID142242604
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol
SMILESNC(Cc1ccccc1)C(O)CNOCCc1ccccc1
InChIInChI=1S/C18H24N2O2/c19-17(13-16-9-5-2-6-10-16)18(21)14-20-22-12-11-15-7-3-1-4-8-15/h1-10,17-18,20-21H,11-14,19H2
InChIKeyDPURGGQNGCEIKP-UHFFFAOYSA-N
XLogP1.68
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
CID 68607283
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
CID 69358558
(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol
CID 142662271
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol
CID 69358318
(2R,3S)-3-amino-1-(1-bicyclo[2.2.2]octanylamino)-4-phenylbutan-2-ol;dihydrochloride
CID 69357598
(2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol
CID 69361411
(2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride
CID 69361540
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol?
The IUPAC name of 3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol (CID 142242604) is 3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol.
What is the SMILES notation for 3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol?
The canonical SMILES for 3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol is NC(Cc1ccccc1)C(O)CNOCCc1ccccc1.
What is the InChIKey of 3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol?
The InChIKey is DPURGGQNGCEIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c19-17(13-16-9-5-2-6-10-16)18(21)14-20-22-12-11-15-7-3-1-4-8-15/h1-10,17-18,20-21H,11-14,19H2.
What are the key properties of 3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol?
3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol has a molecular weight of 300.40 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol is sourced from PubChem (CID 142242604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).