1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol

C19H24N2O2 — CID 136562043

IUPAC1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol
SMILESOC(COCc1ccccc1)CN1CCCNc2ccccc21
InChIInChI=1S/C19H24N2O2/c22-17(15-23-14-16-7-2-1-3-8-16)13-21-12-6-11-20-18-9-4-5-10-19(18)21/h1-5,7-10,17,20,22H,6,11-15H2
InChIKeyLCZKDOLSEIRUSO-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.89
Rot. Bonds6

About 1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol

1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol (PubChem CID 136562043) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol
PubChem CID136562043
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol
SMILESOC(COCc1ccccc1)CN1CCCNc2ccccc21
InChIInChI=1S/C19H24N2O2/c22-17(15-23-14-16-7-2-1-3-8-16)13-21-12-6-11-20-18-9-4-5-10-19(18)21/h1-5,7-10,17,20,22H,6,11-15H2
InChIKeyLCZKDOLSEIRUSO-UHFFFAOYSA-N
XLogP2.89
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylmethoxypropan-2-ol
CID 3804893
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 115312774
1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride
CID 21236643
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
5-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pentanenitrile
CID 115311358

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol (CID 136562043) is 1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol is OC(COCc1ccccc1)CN1CCCNc2ccccc21.
What is the InChIKey of 1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol?
The InChIKey is LCZKDOLSEIRUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-17(15-23-14-16-7-2-1-3-8-16)13-21-12-6-11-20-18-9-4-5-10-19(18)21/h1-5,7-10,17,20,22H,6,11-15H2.
What are the key properties of 1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol?
1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol has a molecular weight of 312.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propan-2-ol is sourced from PubChem (CID 136562043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).