3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol

C17H27NO2 — CID 65185399

IUPAC3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)C2CCCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-20-15-10-8-13(9-11-15)16(12-18)17(19)14-6-4-2-3-5-7-14/h8-11,14,16-17,19H,2-7,12,18H2,1H3
InChIKeyXAFOSRQYYIFOOO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.07
Rot. Bonds5

About 3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol

3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol (PubChem CID 65185399) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
PubChem CID65185399
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)C2CCCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-20-15-10-8-13(9-11-15)16(12-18)17(19)14-6-4-2-3-5-7-14/h8-11,14,16-17,19H,2-7,12,18H2,1H3
InChIKeyXAFOSRQYYIFOOO-UHFFFAOYSA-N
XLogP3.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 75106370
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol
CID 83151816
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 65189415
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
CID 65185834
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
CID 65185548
3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188524

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol (CID 65185399) is 3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(CN)C(O)C2CCCCCC2)cc1.
What is the InChIKey of 3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol?
The InChIKey is XAFOSRQYYIFOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-20-15-10-8-13(9-11-15)16(12-18)17(19)14-6-4-2-3-5-7-14/h8-11,14,16-17,19H,2-7,12,18H2,1H3.
What are the key properties of 3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol?
3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 65185399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).