4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine

C16H17Cl2N — CID 82541472

IUPAC4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2N/c1-11(19)2-3-12-4-6-13(7-5-12)14-8-9-15(17)16(18)10-14/h4-11H,2-3,19H2,1H3
InChIKeyNOUKMXKBNPJNFK-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.94
Rot. Bonds4

About 4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine

4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine (PubChem CID 82541472) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
PubChem CID82541472
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2N/c1-11(19)2-3-12-4-6-13(7-5-12)14-8-9-15(17)16(18)10-14/h4-11H,2-3,19H2,1H3
InChIKeyNOUKMXKBNPJNFK-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine (CID 82541472) is 4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine is CC(N)CCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine?
The InChIKey is NOUKMXKBNPJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-11(19)2-3-12-4-6-13(7-5-12)14-8-9-15(17)16(18)10-14/h4-11H,2-3,19H2,1H3.
What are the key properties of 4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine?
4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine has a molecular weight of 294.23 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)phenyl]butan-2-amine is sourced from PubChem (CID 82541472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).