1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol

C24H29N3O2 — CID 139685684

IUPAC1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol
SMILESOC(CNCCNC(c1ccccc1)c1ccccc1)COCc1ccccn1
InChIInChI=1S/C24H29N3O2/c28-23(19-29-18-22-13-7-8-14-26-22)17-25-15-16-27-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,23-25,27-28H,15-19H2
InChIKeyIYGFHNUAKLLMII-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.93
Rot. Bonds12

About 1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol

1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol (PubChem CID 139685684) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol
PubChem CID139685684
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol
SMILESOC(CNCCNC(c1ccccc1)c1ccccc1)COCc1ccccn1
InChIInChI=1S/C24H29N3O2/c28-23(19-29-18-22-13-7-8-14-26-22)17-25-15-16-27-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,23-25,27-28H,15-19H2
InChIKeyIYGFHNUAKLLMII-UHFFFAOYSA-N
XLogP2.93
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633849
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 80685680
1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 63930265

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol (CID 139685684) is 1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol is OC(CNCCNC(c1ccccc1)c1ccccc1)COCc1ccccn1.
What is the InChIKey of 1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol?
The InChIKey is IYGFHNUAKLLMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(19-29-18-22-13-7-8-14-26-22)17-25-15-16-27-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,23-25,27-28H,15-19H2.
What are the key properties of 1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol?
1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol has a molecular weight of 391.52 g/mol, XLogP of 2.93, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 139685684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).