1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine

C18H21Cl2N — CID 105132746

IUPAC1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
SMILESCNC(CCc1cccc(C)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N/c1-13-4-3-5-14(10-13)6-9-17(21-2)11-15-7-8-16(19)12-18(15)20/h3-5,7-8,10,12,17,21H,6,9,11H2,1-2H3
InChIKeyDHLAGVVTWYUEIB-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.07
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine

1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine (PubChem CID 105132746) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
PubChem CID105132746
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
SMILESCNC(CCc1cccc(C)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N/c1-13-4-3-5-14(10-13)6-9-17(21-2)11-15-7-8-16(19)12-18(15)20/h3-5,7-8,10,12,17,21H,6,9,11H2,1-2H3
InChIKeyDHLAGVVTWYUEIB-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 63527888
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63412977
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105180377
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 106867049
1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine
CID 104804732
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine (CID 105132746) is 1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine is CNC(CCc1cccc(C)c1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
The InChIKey is DHLAGVVTWYUEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-13-4-3-5-14(10-13)6-9-17(21-2)11-15-7-8-16(19)12-18(15)20/h3-5,7-8,10,12,17,21H,6,9,11H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine?
1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine has a molecular weight of 322.28 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 105132746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).