2-[2-[3-(aminomethyl)phenyl]phenyl]aniline

C19H18N2 — CID 174455966

IUPAC2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
SMILESNCc1cccc(-c2ccccc2-c2ccccc2N)c1
InChIInChI=1S/C19H18N2/c20-13-14-6-5-7-15(12-14)16-8-1-2-9-17(16)18-10-3-4-11-19(18)21/h1-12H,13,20-21H2
InChIKeyWHQBBHNKHWQBGP-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.06
Rot. Bonds3

About 2-[2-[3-(aminomethyl)phenyl]phenyl]aniline

2-[2-[3-(aminomethyl)phenyl]phenyl]aniline (PubChem CID 174455966) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[2-[3-(aminomethyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
PubChem CID174455966
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
SMILESNCc1cccc(-c2ccccc2-c2ccccc2N)c1
InChIInChI=1S/C19H18N2/c20-13-14-6-5-7-15(12-14)16-8-1-2-9-17(16)18-10-3-4-11-19(18)21/h1-12H,13,20-21H2
InChIKeyWHQBBHNKHWQBGP-UHFFFAOYSA-N
XLogP4.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
[3-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985236
4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride
CID 23514550
[3-(2-benzofuran-4-yl)phenyl]methanamine
CID 175083312
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]methanamine
CID 145110816
(3,4-diphenylphenyl)methanamine
CID 174401792
[3-(3H-inden-1-yl)phenyl]methanamine
CID 174763400
[3-(1-benzothiophen-7-yl)phenyl]methanamine
CID 81154276
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
2-[2-(4-ethylphenyl)phenyl]aniline
CID 150274676

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(aminomethyl)phenyl]phenyl]aniline?
The IUPAC name of 2-[2-[3-(aminomethyl)phenyl]phenyl]aniline (CID 174455966) is 2-[2-[3-(aminomethyl)phenyl]phenyl]aniline.
What is the SMILES notation for 2-[2-[3-(aminomethyl)phenyl]phenyl]aniline?
The canonical SMILES for 2-[2-[3-(aminomethyl)phenyl]phenyl]aniline is NCc1cccc(-c2ccccc2-c2ccccc2N)c1.
What is the InChIKey of 2-[2-[3-(aminomethyl)phenyl]phenyl]aniline?
The InChIKey is WHQBBHNKHWQBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-13-14-6-5-7-15(12-14)16-8-1-2-9-17(16)18-10-3-4-11-19(18)21/h1-12H,13,20-21H2.
What are the key properties of 2-[2-[3-(aminomethyl)phenyl]phenyl]aniline?
2-[2-[3-(aminomethyl)phenyl]phenyl]aniline has a molecular weight of 274.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(aminomethyl)phenyl]phenyl]aniline is sourced from PubChem (CID 174455966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).