1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol

C14H21ClFNO — CID 103845041

IUPAC1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCc1cc(Cl)ccc1F
InChIInChI=1S/C14H21ClFNO/c1-3-10(4-2)14(18)9-17-8-11-7-12(15)5-6-13(11)16/h5-7,10,14,17-18H,3-4,8-9H2,1-2H3
InChIKeyVXTRESXNRWTBBH-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.37
Rot. Bonds7

About 1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol

1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol (PubChem CID 103845041) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol
PubChem CID103845041
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCc1cc(Cl)ccc1F
InChIInChI=1S/C14H21ClFNO/c1-3-10(4-2)14(18)9-17-8-11-7-12(15)5-6-13(11)16/h5-7,10,14,17-18H,3-4,8-9H2,1-2H3
InChIKeyVXTRESXNRWTBBH-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103793048
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464
3-ethyl-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 103851684
1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103773684
N-[(5-chloro-2-fluorophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 115762111
N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
CID 82553412
1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine
CID 115263054
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
2-chloro-N-[(4-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 114859402
1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284802

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol (CID 103845041) is 1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNCc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
The InChIKey is VXTRESXNRWTBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-3-10(4-2)14(18)9-17-8-11-7-12(15)5-6-13(11)16/h5-7,10,14,17-18H,3-4,8-9H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol?
1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol has a molecular weight of 273.78 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 103845041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).