(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol

C18H23NO2 — CID 97355382

IUPAC(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol
SMILESC[C@@H](O)CNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(20)14-19-12-13-21-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3/t15-/m1/s1
InChIKeyUPOYNHPPAYSBAR-OAHLLOKOSA-N
MW285.39 g/mol
LogP2.76
Rot. Bonds8

About (2R)-1-(2-benzhydryloxyethylamino)propan-2-ol

(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol (PubChem CID 97355382) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-1-(2-benzhydryloxyethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol
PubChem CID97355382
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol
SMILESC[C@@H](O)CNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(20)14-19-12-13-21-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3/t15-/m1/s1
InChIKeyUPOYNHPPAYSBAR-OAHLLOKOSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-benzhydryloxyethyl)ethane-1,2-diamine
CID 57024547
1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine
CID 57070167
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 110193984
N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid
CID 155529314
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
3-benzhydryloxy-N-propan-2-ylpropan-1-amine
CID 163865412
(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
CID 2233000
N'-[2-[(4-tert-butylphenyl)-phenylmethoxy]ethyl]ethane-1,2-diamine
CID 171986728
1-(3-benzhydryloxypropylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 110194017
2-benzhydryloxyethyl(trimethyl)azanium
CID 26536
[2-[2-[2-(2-benzhydryloxyethylamino)ethylsulfanylsulfonyloxy]ethylamino]ethoxy-phenylmethyl]benzene
CID 21128167
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-benzhydryloxyethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2-benzhydryloxyethylamino)propan-2-ol (CID 97355382) is (2R)-1-(2-benzhydryloxyethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-benzhydryloxyethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-benzhydryloxyethylamino)propan-2-ol is C[C@@H](O)CNCCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-(2-benzhydryloxyethylamino)propan-2-ol?
The InChIKey is UPOYNHPPAYSBAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(20)14-19-12-13-21-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-(2-benzhydryloxyethylamino)propan-2-ol?
(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-benzhydryloxyethylamino)propan-2-ol is sourced from PubChem (CID 97355382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).