1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine

C18H21ClFN — CID 105133367

IUPAC1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
SMILESCNC(CCc1cccc(C)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H21ClFN/c1-13-4-3-5-14(10-13)6-9-17(21-2)11-15-7-8-16(20)12-18(15)19/h3-5,7-8,10,12,17,21H,6,9,11H2,1-2H3
InChIKeyRGEPQXDJURDYLQ-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.55
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine

1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine (PubChem CID 105133367) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
PubChem CID105133367
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
SMILESCNC(CCc1cccc(C)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H21ClFN/c1-13-4-3-5-14(10-13)6-9-17(21-2)11-15-7-8-16(20)12-18(15)19/h3-5,7-8,10,12,17,21H,6,9,11H2,1-2H3
InChIKeyRGEPQXDJURDYLQ-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105132746
1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 63527888
1-(2-chloro-4-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 105133510
1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 106867013
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine
CID 62604095
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274
1-(2-chloro-4-fluorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63419681
[1-(5-fluoro-2-methylphenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105378069
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine (CID 105133367) is 1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine is CNC(CCc1cccc(C)c1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The InChIKey is RGEPQXDJURDYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-13-4-3-5-14(10-13)6-9-17(21-2)11-15-7-8-16(20)12-18(15)19/h3-5,7-8,10,12,17,21H,6,9,11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine has a molecular weight of 305.82 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 105133367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).