1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine

C15H23Cl2N — CID 83161129

IUPAC1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
SMILESCNC(CCCC(C)C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N/c1-11(2)5-4-6-14(18-3)9-12-7-8-13(16)10-15(12)17/h7-8,10-11,14,18H,4-6,9H2,1-3H3
InChIKeySXJNZUNQIFTSBY-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.95
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine

1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine (PubChem CID 83161129) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
PubChem CID83161129
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
SMILESCNC(CCCC(C)C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N/c1-11(2)5-4-6-14(18-3)9-12-7-8-13(16)10-15(12)17/h7-8,10-11,14,18H,4-6,9H2,1-3H3
InChIKeySXJNZUNQIFTSBY-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
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
1-(2,4-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149314
3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 63401781
1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 55093519
1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63412977
1-(2,4-dichlorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105132746
[1-(2,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105199055
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105200199

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine (CID 83161129) is 1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine is CNC(CCCC(C)C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine?
The InChIKey is SXJNZUNQIFTSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-11(2)5-4-6-14(18-3)9-12-7-8-13(16)10-15(12)17/h7-8,10-11,14,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine?
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine has a molecular weight of 288.26 g/mol, XLogP of 4.95, 7 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,6-dimethylheptan-2-amine is sourced from PubChem (CID 83161129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).