[4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine

C28H28N2 — CID 155463704

IUPAC[4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine
SMILESCc1c(-c2ccc(CN)cc2)cccc1-c1cccc(-c2ccc(CN)cc2)c1C
InChIInChI=1S/C28H28N2/c1-19-25(23-13-9-21(17-29)10-14-23)5-3-7-27(19)28-8-4-6-26(20(28)2)24-15-11-22(18-30)12-16-24/h3-16H,17-18,29-30H2,1-2H3
InChIKeyXZWUHDWFJOICRT-UHFFFAOYSA-N
MW392.55 g/mol
LogP6.22
Rot. Bonds5

About [4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine

[4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine (PubChem CID 155463704) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is [4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine
PubChem CID155463704
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name[4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine
SMILESCc1c(-c2ccc(CN)cc2)cccc1-c1cccc(-c2ccc(CN)cc2)c1C
InChIInChI=1S/C28H28N2/c1-19-25(23-13-9-21(17-29)10-14-23)5-3-7-27(19)28-8-4-6-26(20(28)2)24-15-11-22(18-30)12-16-24/h3-16H,17-18,29-30H2,1-2H3
InChIKeyXZWUHDWFJOICRT-UHFFFAOYSA-N
XLogP6.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine?
The IUPAC name of [4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine (CID 155463704) is [4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine.
What is the SMILES notation for [4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine?
The canonical SMILES for [4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine is Cc1c(-c2ccc(CN)cc2)cccc1-c1cccc(-c2ccc(CN)cc2)c1C.
What is the InChIKey of [4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine?
The InChIKey is XZWUHDWFJOICRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-19-25(23-13-9-21(17-29)10-14-23)5-3-7-27(19)28-8-4-6-26(20(28)2)24-15-11-22(18-30)12-16-24/h3-16H,17-18,29-30H2,1-2H3.
What are the key properties of [4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine?
[4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine has a molecular weight of 392.55 g/mol, XLogP of 6.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3-[4-(aminomethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phenyl]methanamine is sourced from PubChem (CID 155463704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).