1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine

C15H23ClFNO — CID 105190411

IUPAC1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1F)CC(C)COC
InChIInChI=1S/C15H23ClFNO/c1-4-18-14(7-11(2)10-19-3)8-12-5-6-13(16)9-15(12)17/h5-6,9,11,14,18H,4,7-8,10H2,1-3H3
InChIKeyADYMNOTZOBPSKO-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.67
Rot. Bonds8

About 1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine

1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine (PubChem CID 105190411) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
PubChem CID105190411
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1F)CC(C)COC
InChIInChI=1S/C15H23ClFNO/c1-4-18-14(7-11(2)10-19-3)8-12-5-6-13(16)9-15(12)17/h5-6,9,11,14,18H,4,7-8,10H2,1-3H3
InChIKeyADYMNOTZOBPSKO-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 114855390
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine
CID 103052938
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 114855538
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 102866601
1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105181737
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 105091118

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine (CID 105190411) is 1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine is CCNC(Cc1ccc(Cl)cc1F)CC(C)COC.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine?
The InChIKey is ADYMNOTZOBPSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-18-14(7-11(2)10-19-3)8-12-5-6-13(16)9-15(12)17/h5-6,9,11,14,18H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine?
1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 105190411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).