1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine

C15H23ClFNO — CID 116724461

IUPAC1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(Cc1c(F)cccc1Cl)C(OC)C(C)(C)C
InChIInChI=1S/C15H23ClFNO/c1-15(2,3)14(19-5)13(18-4)9-10-11(16)7-6-8-12(10)17/h6-8,13-14,18H,9H2,1-5H3
InChIKeyULPOTYWTNBVWAR-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.67
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine

1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine (PubChem CID 116724461) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
PubChem CID116724461
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(Cc1c(F)cccc1Cl)C(OC)C(C)(C)C
InChIInChI=1S/C15H23ClFNO/c1-15(2,3)14(19-5)13(18-4)9-10-11(16)7-6-8-12(10)17/h6-8,13-14,18H,9H2,1-5H3
InChIKeyULPOTYWTNBVWAR-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031231
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 116717748
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 116759886
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
1-(2-chloro-6-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031888
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61079682
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656308

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine (CID 116724461) is 1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine is CNC(Cc1c(F)cccc1Cl)C(OC)C(C)(C)C.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine?
The InChIKey is ULPOTYWTNBVWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-15(2,3)14(19-5)13(18-4)9-10-11(16)7-6-8-12(10)17/h6-8,13-14,18H,9H2,1-5H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 116724461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).