4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine

C26H24ClN — CID 19073683

IUPAC4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H24ClN/c1-18(28)26(16-19-6-14-25(27)15-7-19)22-11-8-21(9-12-22)24-13-10-20-4-2-3-5-23(20)17-24/h2-15,17-18,26H,16,28H2,1H3
InChIKeyRTCPPNGANXUDSA-UHFFFAOYSA-N
MW385.94 g/mol
LogP6.83
Rot. Bonds5

About 4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine

4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine (PubChem CID 19073683) has the molecular formula C26H24ClN and a molecular weight of 385.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
PubChem CID19073683
Molecular FormulaC26H24ClN
Molecular Weight385.94 g/mol
Exact Mass385.16
IUPAC Name4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H24ClN/c1-18(28)26(16-19-6-14-25(27)15-7-19)22-11-8-21(9-12-22)24-13-10-20-4-2-3-5-23(20)17-24/h2-15,17-18,26H,16,28H2,1H3
InChIKeyRTCPPNGANXUDSA-UHFFFAOYSA-N
XLogP6.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine (CID 19073683) is 4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine is CC(N)C(Cc1ccc(Cl)cc1)c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine?
The InChIKey is RTCPPNGANXUDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN/c1-18(28)26(16-19-6-14-25(27)15-7-19)22-11-8-21(9-12-22)24-13-10-20-4-2-3-5-23(20)17-24/h2-15,17-18,26H,16,28H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine?
4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine has a molecular weight of 385.94 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine is sourced from PubChem (CID 19073683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).