(1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol

C17H28N2O2 — CID 125480881

IUPAC(1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
SMILESCCOc1ccc([C@@H](O)[C@H](C)N2CCCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-4-21-16-8-6-15(7-9-16)17(20)14(2)19-11-5-10-18(3)12-13-19/h6-9,14,17,20H,4-5,10-13H2,1-3H3/t14-,17-/m0/s1
InChIKeyIAUOVIZMDZJGOS-YOEHRIQHSA-N
MW292.42 g/mol
LogP2.14
Rot. Bonds5

About (1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol

(1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol (PubChem CID 125480881) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
PubChem CID125480881
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
SMILESCCOc1ccc([C@@H](O)[C@H](C)N2CCCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-4-21-16-8-6-15(7-9-16)17(20)14(2)19-11-5-10-18(3)12-13-19/h6-9,14,17,20H,4-5,10-13H2,1-3H3/t14-,17-/m0/s1
InChIKeyIAUOVIZMDZJGOS-YOEHRIQHSA-N
XLogP2.14
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009089
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
3-(4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 65419472
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid
CID 82344814
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264
1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
CID 103857720
(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
CID 27378597
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
CID 82314059
2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethanethioamide
CID 84748593
1-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine
CID 3208612

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
The IUPAC name of (1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol (CID 125480881) is (1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol.
What is the SMILES notation for (1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
The canonical SMILES for (1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol is CCOc1ccc([C@@H](O)[C@H](C)N2CCCN(C)CC2)cc1.
What is the InChIKey of (1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
The InChIKey is IAUOVIZMDZJGOS-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-21-16-8-6-15(7-9-16)17(20)14(2)19-11-5-10-18(3)12-13-19/h6-9,14,17,20H,4-5,10-13H2,1-3H3/t14-,17-/m0/s1.
What are the key properties of (1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
(1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol is sourced from PubChem (CID 125480881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).