4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline

C15H16BrFN2 — CID 61416419

IUPAC4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
SMILESCN(Cc1ccccc1Br)c1ccc(CN)cc1F
InChIInChI=1S/C15H16BrFN2/c1-19(10-12-4-2-3-5-13(12)16)15-7-6-11(9-18)8-14(15)17/h2-8H,9-10,18H2,1H3
InChIKeyBBTHLUXKMSYDSW-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.68
Rot. Bonds4

About 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline

4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline (PubChem CID 61416419) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
PubChem CID61416419
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
SMILESCN(Cc1ccccc1Br)c1ccc(CN)cc1F
InChIInChI=1S/C15H16BrFN2/c1-19(10-12-4-2-3-5-13(12)16)15-7-6-11(9-18)8-14(15)17/h2-8H,9-10,18H2,1H3
InChIKeyBBTHLUXKMSYDSW-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417
1-[4-[(2-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 61416049
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol
CID 63077747
2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 61416480
2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 114879482
2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
CID 60960608
2-(2-aminoethyl)-N-[(2-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861370
4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
CID 28965098
1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol
CID 62335484
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline (CID 61416419) is 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline is CN(Cc1ccccc1Br)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline?
The InChIKey is BBTHLUXKMSYDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-19(10-12-4-2-3-5-13(12)16)15-7-6-11(9-18)8-14(15)17/h2-8H,9-10,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline?
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline has a molecular weight of 323.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 61416419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).