1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol

C15H22FNO — CID 61445224

IUPAC1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol
SMILESCCCN(CC1CC1)c1ccc(C(C)O)cc1F
InChIInChI=1S/C15H22FNO/c1-3-8-17(10-12-4-5-12)15-7-6-13(11(2)18)9-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3
InChIKeyDAGOWGFGCBTONR-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.51
Rot. Bonds6

About 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol

1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol (PubChem CID 61445224) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol
PubChem CID61445224
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol
SMILESCCCN(CC1CC1)c1ccc(C(C)O)cc1F
InChIInChI=1S/C15H22FNO/c1-3-8-17(10-12-4-5-12)15-7-6-13(11(2)18)9-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3
InChIKeyDAGOWGFGCBTONR-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[cyclopropylmethyl(propyl)amino]-3-nitrophenyl]ethanol
CID 61445178
(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol
CID 64521778
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63550802
(1R)-1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 55183360
1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43505973
1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 61446052
(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 78954482
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 61445859
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
CID 107399231

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol (CID 61445224) is 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol is CCCN(CC1CC1)c1ccc(C(C)O)cc1F.
What is the InChIKey of 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is DAGOWGFGCBTONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-8-17(10-12-4-5-12)15-7-6-13(11(2)18)9-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol?
1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 61445224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).