3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine

C16H21N3 — CID 115119687

IUPAC3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine
SMILESNCC(N)CNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H21N3/c17-10-16(18)12-19-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,19H,10-12,17-18H2
InChIKeyAMWUMOAGUMPLQI-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.73
Rot. Bonds6

About 3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine

3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine (PubChem CID 115119687) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine
PubChem CID115119687
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine
SMILESNCC(N)CNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H21N3/c17-10-16(18)12-19-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,19H,10-12,17-18H2
InChIKeyAMWUMOAGUMPLQI-UHFFFAOYSA-N
XLogP1.73
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 24936247
2-ethyl-N'-[(4-phenylphenyl)methyl]propane-1,3-diamine
CID 115251452
3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine
CID 115119666
N-(bromomethyl)-1-(4-phenylphenyl)methanamine
CID 115261872
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
2-(benzylamino)-1-(4-phenylphenyl)ethanol
CID 12526842
3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine
CID 115119779
(4-phenylphenyl)methylhydrazine;hydrochloride
CID 71432751
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786
(2S)-3-amino-N-hydroxy-2-[(4-phenylphenyl)methylamino]propanamide
CID 59697068
N-[(4-phenylphenyl)methyl]formamide
CID 54112237

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine (CID 115119687) is 3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine is NCC(N)CNCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine?
The InChIKey is AMWUMOAGUMPLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-10-16(18)12-19-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,19H,10-12,17-18H2.
What are the key properties of 3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine?
3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine has a molecular weight of 255.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine is sourced from PubChem (CID 115119687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).