3-[[4-(2-aminoethyl)phenyl]methyl]aniline

C15H18N2 — CID 142409783

IUPAC3-[[4-(2-aminoethyl)phenyl]methyl]aniline
SMILESNCCc1ccc(Cc2cccc(N)c2)cc1
InChIInChI=1S/C15H18N2/c16-9-8-12-4-6-13(7-5-12)10-14-2-1-3-15(17)11-14/h1-7,11H,8-10,16-17H2
InChIKeyPAQHZPATWGSLJN-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.36
Rot. Bonds4

About 3-[[4-(2-aminoethyl)phenyl]methyl]aniline

3-[[4-(2-aminoethyl)phenyl]methyl]aniline (PubChem CID 142409783) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[[4-(2-aminoethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-[[4-(2-aminoethyl)phenyl]methyl]aniline
PubChem CID142409783
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-[[4-(2-aminoethyl)phenyl]methyl]aniline
SMILESNCCc1ccc(Cc2cccc(N)c2)cc1
InChIInChI=1S/C15H18N2/c16-9-8-12-4-6-13(7-5-12)10-14-2-1-3-15(17)11-14/h1-7,11H,8-10,16-17H2
InChIKeyPAQHZPATWGSLJN-UHFFFAOYSA-N
XLogP2.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.36
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-[[3-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 159164219
4-[(3-aminophenyl)methyl]benzene-1,2-diamine;trihydrochloride
CID 18353599
2-amino-5-[(3-aminophenyl)methyl]phenol
CID 23106868
2-amino-4-[(3-aminophenyl)methyl]phenol
CID 23106855
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
3-(3-fluoropropyl)aniline
CID 83855660
4-[(3-propan-2-ylphenyl)methyl]aniline
CID 123873947
3-[(4-ethoxy-3-fluorophenyl)methyl]aniline
CID 116925771

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-aminoethyl)phenyl]methyl]aniline?
The IUPAC name of 3-[[4-(2-aminoethyl)phenyl]methyl]aniline (CID 142409783) is 3-[[4-(2-aminoethyl)phenyl]methyl]aniline.
What is the SMILES notation for 3-[[4-(2-aminoethyl)phenyl]methyl]aniline?
The canonical SMILES for 3-[[4-(2-aminoethyl)phenyl]methyl]aniline is NCCc1ccc(Cc2cccc(N)c2)cc1.
What is the InChIKey of 3-[[4-(2-aminoethyl)phenyl]methyl]aniline?
The InChIKey is PAQHZPATWGSLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c16-9-8-12-4-6-13(7-5-12)10-14-2-1-3-15(17)11-14/h1-7,11H,8-10,16-17H2.
What are the key properties of 3-[[4-(2-aminoethyl)phenyl]methyl]aniline?
3-[[4-(2-aminoethyl)phenyl]methyl]aniline has a molecular weight of 226.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-aminoethyl)phenyl]methyl]aniline is sourced from PubChem (CID 142409783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).