3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol

C18H29NO2 — CID 65189415

IUPAC3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
SMILESCC(C)COc1ccc(C(CN)C(O)C2CCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-13(2)12-21-16-9-7-14(8-10-16)17(11-19)18(20)15-5-3-4-6-15/h7-10,13,15,17-18,20H,3-6,11-12,19H2,1-2H3
InChIKeyQHOHEFJMRVMIFO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.31
Rot. Bonds7

About 3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol

3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol (PubChem CID 65189415) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
PubChem CID65189415
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
SMILESCC(C)COc1ccc(C(CN)C(O)C2CCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-13(2)12-21-16-9-7-14(8-10-16)17(11-19)18(20)15-5-3-4-6-15/h7-10,13,15,17-18,20H,3-6,11-12,19H2,1-2H3
InChIKeyQHOHEFJMRVMIFO-UHFFFAOYSA-N
XLogP3.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
CID 65189752
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185399
3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 75106370
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol
CID 65189512
3-amino-1-cyclobutyl-2-(4-fluorophenyl)propan-1-ol
CID 65185834
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol
CID 65189462
1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol
CID 83151816

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol (CID 65189415) is 3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol is CC(C)COc1ccc(C(CN)C(O)C2CCCC2)cc1.
What is the InChIKey of 3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol?
The InChIKey is QHOHEFJMRVMIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)12-21-16-9-7-14(8-10-16)17(11-19)18(20)15-5-3-4-6-15/h7-10,13,15,17-18,20H,3-6,11-12,19H2,1-2H3.
What are the key properties of 3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol?
3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 65189415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).