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

C27H26N2 — CID 145212399

IUPAC[3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cccc(-c2cccc(-c3cccc(CN)c3)c2)c1
InChIInChI=1S/C27H26N2/c1-19-7-2-3-14-26(19)27(29)25-13-6-12-24(17-25)23-11-5-10-22(16-23)21-9-4-8-20(15-21)18-28/h2-17,27H,18,28-29H2,1H3
InChIKeyINHIOKUOWHCPBF-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.84
Rot. Bonds5

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

[3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine (PubChem CID 145212399) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is [3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name[3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine
PubChem CID145212399
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name[3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cccc(-c2cccc(-c3cccc(CN)c3)c2)c1
InChIInChI=1S/C27H26N2/c1-19-7-2-3-14-26(19)27(29)25-13-6-12-24(17-25)23-11-5-10-22(16-23)21-9-4-8-20(15-21)18-28/h2-17,27H,18,28-29H2,1H3
InChIKeyINHIOKUOWHCPBF-UHFFFAOYSA-N
XLogP5.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
(2-methylphenyl)-phenylmethanamine
CID 15254157
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
[3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine
CID 116936971
(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
CID 114330275
[3-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985236
[3-(2,3,5,6-tetramethylphenyl)phenyl]methanamine
CID 61034140
[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine
CID 116936966
(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine
CID 105018566
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
[3-[7-[3-[(benzylamino)methyl]phenyl]naphthalen-2-yl]phenyl]methanamine;phenylmethanamine;phenylmethanediamine;toluene
CID 142441809
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139

Frequently Asked Questions

What is the IUPAC name of [3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine?
The IUPAC name of [3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine (CID 145212399) is [3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine.
What is the SMILES notation for [3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine?
The canonical SMILES for [3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1cccc(-c2cccc(-c3cccc(CN)c3)c2)c1.
What is the InChIKey of [3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine?
The InChIKey is INHIOKUOWHCPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-19-7-2-3-14-26(19)27(29)25-13-6-12-24(17-25)23-11-5-10-22(16-23)21-9-4-8-20(15-21)18-28/h2-17,27H,18,28-29H2,1H3.
What are the key properties of [3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine?
[3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine has a molecular weight of 378.52 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine is sourced from PubChem (CID 145212399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).