5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol

C15H22FNO — CID 107270462

IUPAC5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
SMILESCC(O)CCCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H22FNO/c1-11(18)3-2-10-17-15(12-4-5-12)13-6-8-14(16)9-7-13/h6-9,11-12,15,17-18H,2-5,10H2,1H3
InChIKeyUBHIQRUHDXXOPF-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.03
Rot. Bonds7

About 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol

5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol (PubChem CID 107270462) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
PubChem CID107270462
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
SMILESCC(O)CCCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H22FNO/c1-11(18)3-2-10-17-15(12-4-5-12)13-6-8-14(16)9-7-13/h6-9,11-12,15,17-18H,2-5,10H2,1H3
InChIKeyUBHIQRUHDXXOPF-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
CID 107270210
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771413
N-[3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]methanesulfonamide
CID 103832837
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 113350066
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
CID 103911492
N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570678
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol?
The IUPAC name of 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol (CID 107270462) is 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol?
The canonical SMILES for 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol is CC(O)CCCNC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol?
The InChIKey is UBHIQRUHDXXOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(18)3-2-10-17-15(12-4-5-12)13-6-8-14(16)9-7-13/h6-9,11-12,15,17-18H,2-5,10H2,1H3.
What are the key properties of 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol?
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol has a molecular weight of 251.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol is sourced from PubChem (CID 107270462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).