1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine

C12H17ClFNO — CID 62604095

IUPAC1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine
SMILESCNC(CCOC)Cc1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO/c1-15-11(5-6-16-2)7-9-3-4-10(14)8-12(9)13/h3-4,8,11,15H,5-7H2,1-2H3
InChIKeyQYFGJXNAGHTOFX-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.65
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine

1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine (PubChem CID 62604095) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine
PubChem CID62604095
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine
SMILESCNC(CCOC)Cc1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO/c1-15-11(5-6-16-2)7-9-3-4-10(14)8-12(9)13/h3-4,8,11,15H,5-7H2,1-2H3
InChIKeyQYFGJXNAGHTOFX-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2-chloro-4-fluorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149153
1-(2-chloro-4-fluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105133236
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367
1-(2-chloro-4-fluorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63419681
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 63035807
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(2-chloro-4-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 79197437
[1-(2-chloro-4-methylphenyl)-4-methoxybutan-2-yl]hydrazine
CID 106868463
1-(2,4-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149314

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine (CID 62604095) is 1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine is CNC(CCOC)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine?
The InChIKey is QYFGJXNAGHTOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-15-11(5-6-16-2)7-9-3-4-10(14)8-12(9)13/h3-4,8,11,15H,5-7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine?
1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine has a molecular weight of 245.72 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine is sourced from PubChem (CID 62604095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).