4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline

C16H19FN2 — CID 60929562

IUPAC4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
SMILESCc1cc(CN)ccc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c1-12-9-14(10-18)5-8-16(12)19(2)11-13-3-6-15(17)7-4-13/h3-9H,10-11,18H2,1-2H3
InChIKeyOPERKSGCDHJHLK-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.23
Rot. Bonds4

About 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline

4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline (PubChem CID 60929562) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
PubChem CID60929562
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
SMILESCc1cc(CN)ccc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c1-12-9-14(10-18)5-8-16(12)19(2)11-13-3-6-15(17)7-4-13/h3-9H,10-11,18H2,1-2H3
InChIKeyOPERKSGCDHJHLK-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline (CID 60929562) is 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline is Cc1cc(CN)ccc1N(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline?
The InChIKey is OPERKSGCDHJHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-9-14(10-18)5-8-16(12)19(2)11-13-3-6-15(17)7-4-13/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline?
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline is sourced from PubChem (CID 60929562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).