(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine

C11H15Cl2N — CID 130902077

IUPAC(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2N/c1-7(2)3-11(14)8-4-9(12)6-10(13)5-8/h4-7,11H,3,14H2,1-2H3/t11-/m1/s1
InChIKeyNDMAKJWIGAMRHB-LLVKDONJSA-N
MW232.15 g/mol
LogP4.04
Rot. Bonds3

About (1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine

(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine (PubChem CID 130902077) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is (1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
PubChem CID130902077
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2N/c1-7(2)3-11(14)8-4-9(12)6-10(13)5-8/h4-7,11H,3,14H2,1-2H3/t11-/m1/s1
InChIKeyNDMAKJWIGAMRHB-LLVKDONJSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
(1R)-1-(3,5-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313585
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325
1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine
CID 107945539
1-(3,5-dimethylphenyl)-3,5-dimethylhexan-1-amine
CID 114201703
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
(1S)-3-methyl-1-(3,4,5-trifluorophenyl)butan-1-amine;hydrochloride
CID 171225399
1-(3-chloro-5-methylphenyl)-3-methylhexan-1-amine
CID 115845741

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine (CID 130902077) is (1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine is CC(C)C[C@@H](N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine?
The InChIKey is NDMAKJWIGAMRHB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-7(2)3-11(14)8-4-9(12)6-10(13)5-8/h4-7,11H,3,14H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine?
(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine has a molecular weight of 232.15 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 130902077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).