5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol

C16H27FN2O — CID 107198264

IUPAC5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol
SMILESCCC(N)C(c1ccccc1F)N(C)CCCCCO
InChIInChI=1S/C16H27FN2O/c1-3-15(18)16(13-9-5-6-10-14(13)17)19(2)11-7-4-8-12-20/h5-6,9-10,15-16,20H,3-4,7-8,11-12,18H2,1-2H3
InChIKeyBPPBVTLVKWOXQP-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.70
Rot. Bonds9

About 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol

5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol (PubChem CID 107198264) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol
PubChem CID107198264
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol
SMILESCCC(N)C(c1ccccc1F)N(C)CCCCCO
InChIInChI=1S/C16H27FN2O/c1-3-15(18)16(13-9-5-6-10-14(13)17)19(2)11-7-4-8-12-20/h5-6,9-10,15-16,20H,3-4,7-8,11-12,18H2,1-2H3
InChIKeyBPPBVTLVKWOXQP-UHFFFAOYSA-N
XLogP2.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol 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-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
CID 55018970
3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
CID 113468603
3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol
CID 114230118
1-N-(cyclopentylmethyl)-1-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 63633108
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 55019117
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55019022
1-(2-fluorophenyl)propan-1-amine
CID 18439474
3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol
CID 104840425
3-[[2-amino-1-(2-fluorophenyl)butyl]-ethylamino]propanenitrile
CID 55019174
1-(2-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82949014
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol (CID 107198264) is 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol is CCC(N)C(c1ccccc1F)N(C)CCCCCO.
What is the InChIKey of 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol?
The InChIKey is BPPBVTLVKWOXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-3-15(18)16(13-9-5-6-10-14(13)17)19(2)11-7-4-8-12-20/h5-6,9-10,15-16,20H,3-4,7-8,11-12,18H2,1-2H3.
What are the key properties of 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol?
5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol has a molecular weight of 282.40 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107198264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).