4-(aminomethyl)-N-benzyl-N,2-dimethylaniline

C16H20N2 — CID 60929185

IUPAC4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
SMILESCc1cc(CN)ccc1N(C)Cc1ccccc1
InChIInChI=1S/C16H20N2/c1-13-10-15(11-17)8-9-16(13)18(2)12-14-6-4-3-5-7-14/h3-10H,11-12,17H2,1-2H3
InChIKeyINWYKUGYZJTYIF-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.09
Rot. Bonds4

About 4-(aminomethyl)-N-benzyl-N,2-dimethylaniline

4-(aminomethyl)-N-benzyl-N,2-dimethylaniline (PubChem CID 60929185) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-benzyl-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
PubChem CID60929185
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
SMILESCc1cc(CN)ccc1N(C)Cc1ccccc1
InChIInChI=1S/C16H20N2/c1-13-10-15(11-17)8-9-16(13)18(2)12-14-6-4-3-5-7-14/h3-10H,11-12,17H2,1-2H3
InChIKeyINWYKUGYZJTYIF-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695102
2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
CID 60930505
4-(aminomethyl)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55209219
4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
CID 55207918
4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82793405
N-benzyl-N,2,5-trimethylaniline
CID 15439716
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
N-[[4-(aminomethyl)phenyl]methyl]-N,2,4,6-tetramethylaniline
CID 115213175

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-benzyl-N,2-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-N-benzyl-N,2-dimethylaniline (CID 60929185) is 4-(aminomethyl)-N-benzyl-N,2-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-benzyl-N,2-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-benzyl-N,2-dimethylaniline is Cc1cc(CN)ccc1N(C)Cc1ccccc1.
What is the InChIKey of 4-(aminomethyl)-N-benzyl-N,2-dimethylaniline?
The InChIKey is INWYKUGYZJTYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-10-15(11-17)8-9-16(13)18(2)12-14-6-4-3-5-7-14/h3-10H,11-12,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-benzyl-N,2-dimethylaniline?
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-benzyl-N,2-dimethylaniline is sourced from PubChem (CID 60929185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).