1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol

C14H21BrFNO — CID 103793048

IUPAC1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccc(F)cc1Br
InChIInChI=1S/C14H21BrFNO/c1-3-10(4-2)14(18)9-17-8-11-5-6-12(16)7-13(11)15/h5-7,10,14,17-18H,3-4,8-9H2,1-2H3
InChIKeyNVLVLCRYQRSJRK-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.47
Rot. Bonds7

About 1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol

1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol (PubChem CID 103793048) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol
PubChem CID103793048
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccc(F)cc1Br
InChIInChI=1S/C14H21BrFNO/c1-3-10(4-2)14(18)9-17-8-11-5-6-12(16)7-13(11)15/h5-7,10,14,17-18H,3-4,8-9H2,1-2H3
InChIKeyNVLVLCRYQRSJRK-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103773684
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103845041
1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284625
1-(2-bromo-4-fluorophenyl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458428
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
N-[(2-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 28569077
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464
1-[(2-bromophenyl)methylamino]butan-2-ol
CID 61401914
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
N-[2-[(2-bromo-4-fluorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 103608711
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 113368914

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol (CID 103793048) is 1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNCc1ccc(F)cc1Br.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
The InChIKey is NVLVLCRYQRSJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-3-10(4-2)14(18)9-17-8-11-5-6-12(16)7-13(11)15/h5-7,10,14,17-18H,3-4,8-9H2,1-2H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol has a molecular weight of 318.23 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 103793048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).