2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol

C14H18FNO — CID 71999867

IUPAC2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol
SMILESC=CCN(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H18FNO/c1-2-9-16(13-7-8-13)10-14(17)11-3-5-12(15)6-4-11/h2-6,13-14,17H,1,7-10H2
InChIKeyKVVUZZWSZJXQDX-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.51
Rot. Bonds6

About 2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol

2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol (PubChem CID 71999867) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol
PubChem CID71999867
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol
SMILESC=CCN(CC(O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H18FNO/c1-2-9-16(13-7-8-13)10-14(17)11-3-5-12(15)6-4-11/h2-6,13-14,17H,1,7-10H2
InChIKeyKVVUZZWSZJXQDX-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
CID 129424046
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol
CID 110885670
1-[2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]pyrrolidin-2-one
CID 71999862
N-cyclopentyl-2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 111432084
2-[(2-chloro-3-pyridinyl)methyl-cyclopropylamino]-1-(4-fluorophenyl)ethanol
CID 111462262
2-[(3-chloro-4-pyridinyl)methyl-cyclopropylamino]-1-(4-fluorophenyl)ethanol
CID 111565163
2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
CID 71852847
2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide
CID 99858938
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol
CID 111462245
N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide
CID 71999869
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 111462226

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol (CID 71999867) is 2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol is C=CCN(CC(O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is KVVUZZWSZJXQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-9-16(13-7-8-13)10-14(17)11-3-5-12(15)6-4-11/h2-6,13-14,17H,1,7-10H2.
What are the key properties of 2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol?
2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 235.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 71999867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).