1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine

C14H21Cl2N — CID 63415710

IUPAC1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1ccc(Cl)c(Cl)c1)NC
InChIInChI=1S/C14H21Cl2N/c1-4-10(2)7-12(17-3)8-11-5-6-13(15)14(16)9-11/h5-6,9-10,12,17H,4,7-8H2,1-3H3
InChIKeyUCXNUOBLEIRAOQ-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.56
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine

1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine (PubChem CID 63415710) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
PubChem CID63415710
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
SMILESCCC(C)CC(Cc1ccc(Cl)c(Cl)c1)NC
InChIInChI=1S/C14H21Cl2N/c1-4-10(2)7-12(17-3)8-11-5-6-13(15)14(16)9-11/h5-6,9-10,12,17H,4,7-8H2,1-3H3
InChIKeyUCXNUOBLEIRAOQ-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497
[1-(3,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198848
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
CID 103039854
1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 115516577
1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736
2-[(3,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62530111
1-(3,4-dichlorophenyl)-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 62196904

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine (CID 63415710) is 1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine is CCC(C)CC(Cc1ccc(Cl)c(Cl)c1)NC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine?
The InChIKey is UCXNUOBLEIRAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-4-10(2)7-12(17-3)8-11-5-6-13(15)14(16)9-11/h5-6,9-10,12,17H,4,7-8H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine?
1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine has a molecular weight of 274.23 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine is sourced from PubChem (CID 63415710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).