1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol

C17H25NO2 — CID 111425486

IUPAC1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol
SMILESC=CCOc1ccc(CNCC(O)C2CCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-2-11-20-16-9-7-14(8-10-16)12-18-13-17(19)15-5-3-4-6-15/h2,7-10,15,17-19H,1,3-6,11-13H2
InChIKeyNMJVBWHZHIDSMV-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.89
Rot. Bonds8

About 1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol

1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol (PubChem CID 111425486) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol
PubChem CID111425486
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol
SMILESC=CCOc1ccc(CNCC(O)C2CCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-2-11-20-16-9-7-14(8-10-16)12-18-13-17(19)15-5-3-4-6-15/h2,7-10,15,17-19H,1,3-6,11-13H2
InChIKeyNMJVBWHZHIDSMV-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290477
1-cyclopentyl-2-[(4-fluorophenyl)methylamino]ethanol
CID 111425447
(1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81388633
2-(benzylamino)-1-cyclohexylethanol
CID 14342015
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol
CID 166350994
N-[(4-prop-2-enoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295418
N-[(4-prop-2-enoxyphenyl)methyl]thian-4-amine
CID 115615614
2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid
CID 103251531
1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride
CID 115608900
N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 105414481
3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 28719822
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol (CID 111425486) is 1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol is C=CCOc1ccc(CNCC(O)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol?
The InChIKey is NMJVBWHZHIDSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-11-20-16-9-7-14(8-10-16)12-18-13-17(19)15-5-3-4-6-15/h2,7-10,15,17-19H,1,3-6,11-13H2.
What are the key properties of 1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol?
1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol has a molecular weight of 275.39 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 111425486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).