2-[(1-phenylpropylamino)methyl]aniline

C16H20N2 — CID 66418456

IUPAC2-[(1-phenylpropylamino)methyl]aniline
SMILESCCC(NCc1ccccc1N)c1ccccc1
InChIInChI=1S/C16H20N2/c1-2-16(13-8-4-3-5-9-13)18-12-14-10-6-7-11-15(14)17/h3-11,16,18H,2,12,17H2,1H3
InChIKeyBYYGSJFWKKTBLP-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.51
Rot. Bonds5

About 2-[(1-phenylpropylamino)methyl]aniline

2-[(1-phenylpropylamino)methyl]aniline (PubChem CID 66418456) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(1-phenylpropylamino)methyl]aniline.

Molecular Properties

Compound Name2-[(1-phenylpropylamino)methyl]aniline
PubChem CID66418456
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-[(1-phenylpropylamino)methyl]aniline
SMILESCCC(NCc1ccccc1N)c1ccccc1
InChIInChI=1S/C16H20N2/c1-2-16(13-8-4-3-5-9-13)18-12-14-10-6-7-11-15(14)17/h3-11,16,18H,2,12,17H2,1H3
InChIKeyBYYGSJFWKKTBLP-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.51
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

2-[(1-phenylpropylamino)methyl]phenol
CID 62305715
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine
CID 43203759
N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848917
N-(1,3-benzodioxol-4-ylmethyl)-1-phenylpropan-1-amine
CID 61213022
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
4-[1-[(2-ethylphenyl)methylamino]propyl]phenol
CID 64680918
4-methyl-2-[(1-phenylpropylamino)methyl]phenol
CID 55206089
2-[1-(benzylamino)propyl]aniline
CID 12628946
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261
3-[(1-phenylpropylamino)methyl]furan-2-carboxylic acid
CID 103248056
2-[(2-aminophenyl)methylamino]propan-1-ol
CID 66386252

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpropylamino)methyl]aniline?
The IUPAC name of 2-[(1-phenylpropylamino)methyl]aniline (CID 66418456) is 2-[(1-phenylpropylamino)methyl]aniline.
What is the SMILES notation for 2-[(1-phenylpropylamino)methyl]aniline?
The canonical SMILES for 2-[(1-phenylpropylamino)methyl]aniline is CCC(NCc1ccccc1N)c1ccccc1.
What is the InChIKey of 2-[(1-phenylpropylamino)methyl]aniline?
The InChIKey is BYYGSJFWKKTBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-16(13-8-4-3-5-9-13)18-12-14-10-6-7-11-15(14)17/h3-11,16,18H,2,12,17H2,1H3.
What are the key properties of 2-[(1-phenylpropylamino)methyl]aniline?
2-[(1-phenylpropylamino)methyl]aniline has a molecular weight of 240.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpropylamino)methyl]aniline is sourced from PubChem (CID 66418456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).