1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol

C15H23NO2 — CID 83151816

IUPAC1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol
SMILESCOc1ccc(C(CN)C(O)C(C)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-10(11-3-4-11)15(17)14(9-16)12-5-7-13(18-2)8-6-12/h5-8,10-11,14-15,17H,3-4,9,16H2,1-2H3
InChIKeyFJZMYHLGCXJTOE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds6

About 1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol

1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol (PubChem CID 83151816) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol
PubChem CID83151816
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol
SMILESCOc1ccc(C(CN)C(O)C(C)C2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-10(11-3-4-11)15(17)14(9-16)12-5-7-13(18-2)8-6-12/h5-8,10-11,14-15,17H,3-4,9,16H2,1-2H3
InChIKeyFJZMYHLGCXJTOE-UHFFFAOYSA-N
XLogP2.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
CID 65185548
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 65189415
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol
CID 83150029
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325
4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
CID 65189752

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol?
The IUPAC name of 1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol (CID 83151816) is 1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol.
What is the SMILES notation for 1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol?
The canonical SMILES for 1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol is COc1ccc(C(CN)C(O)C(C)C2CC2)cc1.
What is the InChIKey of 1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol?
The InChIKey is FJZMYHLGCXJTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(11-3-4-11)15(17)14(9-16)12-5-7-13(18-2)8-6-12/h5-8,10-11,14-15,17H,3-4,9,16H2,1-2H3.
What are the key properties of 1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol?
1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol has a molecular weight of 249.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol is sourced from PubChem (CID 83151816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).