1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol

C22H37NO2 — CID 70048759

IUPAC1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
SMILESCCC(C)C(C)NCC(O)COc1ccccc1C1CCCCCC1
InChIInChI=1S/C22H37NO2/c1-4-17(2)18(3)23-15-20(24)16-25-22-14-10-9-13-21(22)19-11-7-5-6-8-12-19/h9-10,13-14,17-20,23-24H,4-8,11-12,15-16H2,1-3H3
InChIKeyUHJNVFVQMFHTLB-UHFFFAOYSA-N
MW347.54 g/mol
LogP4.89
Rot. Bonds9

About 1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol

1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol (PubChem CID 70048759) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is 1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
PubChem CID70048759
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
SMILESCCC(C)C(C)NCC(O)COc1ccccc1C1CCCCCC1
InChIInChI=1S/C22H37NO2/c1-4-17(2)18(3)23-15-20(24)16-25-22-14-10-9-13-21(22)19-11-7-5-6-8-12-19/h9-10,13-14,17-20,23-24H,4-8,11-12,15-16H2,1-3H3
InChIKeyUHJNVFVQMFHTLB-UHFFFAOYSA-N
XLogP4.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol
CID 22113429
1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol
CID 131857261
1-(2-cyclopentylphenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol;oxalic acid
CID 157078518
1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462
1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
CID 81388789
1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463540
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
2-[3-[[(1S)-1-cyclopentylethyl]amino]-2-hydroxypropoxy]benzonitrile
CID 81390213
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol (CID 70048759) is 1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol is CCC(C)C(C)NCC(O)COc1ccccc1C1CCCCCC1.
What is the InChIKey of 1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The InChIKey is UHJNVFVQMFHTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-4-17(2)18(3)23-15-20(24)16-25-22-14-10-9-13-21(22)19-11-7-5-6-8-12-19/h9-10,13-14,17-20,23-24H,4-8,11-12,15-16H2,1-3H3.
What are the key properties of 1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol has a molecular weight of 347.54 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 70048759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).