3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol

C14H23FN2O — CID 104840425

IUPAC3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol
SMILESCCC(N)C(CO)N(C)C(C)c1ccccc1F
InChIInChI=1S/C14H23FN2O/c1-4-13(16)14(9-18)17(3)10(2)11-7-5-6-8-12(11)15/h5-8,10,13-14,18H,4,9,16H2,1-3H3
InChIKeyJBEVVSJJUDTTEB-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.92
Rot. Bonds6

About 3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol

3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol (PubChem CID 104840425) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol
PubChem CID104840425
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol
SMILESCCC(N)C(CO)N(C)C(C)c1ccccc1F
InChIInChI=1S/C14H23FN2O/c1-4-13(16)14(9-18)17(3)10(2)11-7-5-6-8-12(11)15/h5-8,10,13-14,18H,4,9,16H2,1-3H3
InChIKeyJBEVVSJJUDTTEB-UHFFFAOYSA-N
XLogP1.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
CID 62985920
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719
methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate
CID 79413938
3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
CID 62979298
1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
CID 55018970
5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol
CID 107198264
1-(2-fluorophenyl)propan-1-amine
CID 18439474
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide
CID 66431255
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55019022
2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine
CID 62978792

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol?
The IUPAC name of 3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol (CID 104840425) is 3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol.
What is the SMILES notation for 3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol?
The canonical SMILES for 3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol is CCC(N)C(CO)N(C)C(C)c1ccccc1F.
What is the InChIKey of 3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol?
The InChIKey is JBEVVSJJUDTTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-13(16)14(9-18)17(3)10(2)11-7-5-6-8-12(11)15/h5-8,10,13-14,18H,4,9,16H2,1-3H3.
What are the key properties of 3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol?
3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol is sourced from PubChem (CID 104840425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).