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

C14H21BrFNO — CID 103773684

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

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

1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol (PubChem CID 103773684) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol
PubChem CID103773684
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccc(Br)c(F)c1
InChIInChI=1S/C14H21BrFNO/c1-3-11(4-2)14(18)9-17-8-10-5-6-12(15)13(16)7-10/h5-7,11,14,17-18H,3-4,8-9H2,1-2H3
InChIKeyBZYFNQHCNSTUOI-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

3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 103851684
N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 81436285
1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103793048
4-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 81002997
1-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81002469
1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103845041
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 81436611
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347
N-[(4-bromo-3-fluorophenyl)methyl]hexan-1-amine
CID 81436257
2-[(4-bromo-3-fluorophenyl)methylamino]propanoic acid
CID 81436719
N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide
CID 103657650
1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol
CID 103773692

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol (CID 103773684) is 1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNCc1ccc(Br)c(F)c1.
What is the InChIKey of 1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
The InChIKey is BZYFNQHCNSTUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-3-11(4-2)14(18)9-17-8-10-5-6-12(15)13(16)7-10/h5-7,11,14,17-18H,3-4,8-9H2,1-2H3.
What are the key properties of 1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
1-[(4-bromo-3-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-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 103773684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).