2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane

C21H29NO2 — CID 145365424

IUPAC2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane
SMILESCC.OC(CNCC1CC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2.C2H6/c21-19(13-20-12-15-6-7-15)17-8-10-18(11-9-17)22-14-16-4-2-1-3-5-16;1-2/h1-5,8-11,15,19-21H,6-7,12-14H2;1-2H3
InChIKeyZMJFFUCPHQOZBR-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.32
Rot. Bonds8

About 2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane

2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane (PubChem CID 145365424) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane
PubChem CID145365424
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane
SMILESCC.OC(CNCC1CC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2.C2H6/c21-19(13-20-12-15-6-7-15)17-8-10-18(11-9-17)22-14-16-4-2-1-3-5-16;1-2/h1-5,8-11,15,19-21H,6-7,12-14H2;1-2H3
InChIKeyZMJFFUCPHQOZBR-UHFFFAOYSA-N
XLogP4.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol
CID 130406647
4-[2-(cyclopropylmethylamino)-1-hydroxyethyl]phenol
CID 130406696
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide
CID 124560470
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol
CID 67817207
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171230778
1-(cyclopropylmethylamino)-3-phenylpropan-2-ol
CID 111104724

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane (CID 145365424) is 2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane is CC.OC(CNCC1CC1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane?
The InChIKey is ZMJFFUCPHQOZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.C2H6/c21-19(13-20-12-15-6-7-15)17-8-10-18(11-9-17)22-14-16-4-2-1-3-5-16;1-2/h1-5,8-11,15,19-21H,6-7,12-14H2;1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane?
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane has a molecular weight of 327.47 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane is sourced from PubChem (CID 145365424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).