1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine

C17H19Cl2N — CID 63420080

IUPAC1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine
SMILESCC(C)(c1ccccc1)C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-17(2,12-7-4-3-5-8-12)16(20)11-13-14(18)9-6-10-15(13)19/h3-10,16H,11,20H2,1-2H3
InChIKeyWJNXXRJEDZDYRV-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.84
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine

1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine (PubChem CID 63420080) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine
PubChem CID63420080
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine
SMILESCC(C)(c1ccccc1)C(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-17(2,12-7-4-3-5-8-12)16(20)11-13-14(18)9-6-10-15(13)19/h3-10,16H,11,20H2,1-2H3
InChIKeyWJNXXRJEDZDYRV-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1,3-diphenylbutan-2-amine
CID 63086399
1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79197311
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
3-(azepan-1-yl)-1-(2,6-dichlorophenyl)-3-methylbutan-2-amine
CID 79050778
3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine
CID 63085723
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
2-methyl-2-phenylhex-5-en-3-amine
CID 63085538
3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79824374
1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769319
1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine
CID 65133097
1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
CID 61495975
1-(2,3-dichlorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 63411078

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine (CID 63420080) is 1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine is CC(C)(c1ccccc1)C(N)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine?
The InChIKey is WJNXXRJEDZDYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-17(2,12-7-4-3-5-8-12)16(20)11-13-14(18)9-6-10-15(13)19/h3-10,16H,11,20H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine?
1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine has a molecular weight of 308.25 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine is sourced from PubChem (CID 63420080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).