N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine

C15H23BrN2O — CID 102771142

IUPACN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
SMILESCN(Cc1ccc(CN)cc1Br)CC1CCCOC1
InChIInChI=1S/C15H23BrN2O/c1-18(9-13-3-2-6-19-11-13)10-14-5-4-12(8-17)7-15(14)16/h4-5,7,13H,2-3,6,8-11,17H2,1H3
InChIKeyDCGIUNCDGGCTNN-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.77
Rot. Bonds5

About N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine

N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 102771142) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID102771142
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
SMILESCN(Cc1ccc(CN)cc1Br)CC1CCCOC1
InChIInChI=1S/C15H23BrN2O/c1-18(9-13-3-2-6-19-11-13)10-14-5-4-12(8-17)7-15(14)16/h4-5,7,13H,2-3,6,8-11,17H2,1H3
InChIKeyDCGIUNCDGGCTNN-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-2-bromo-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 82794478
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 107532389
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102770756
3-fluoro-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarbothioamide
CID 63713588
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine (CID 102771142) is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine is CN(Cc1ccc(CN)cc1Br)CC1CCCOC1.
What is the InChIKey of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is DCGIUNCDGGCTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-18(9-13-3-2-6-19-11-13)10-14-5-4-12(8-17)7-15(14)16/h4-5,7,13H,2-3,6,8-11,17H2,1H3.
What are the key properties of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine?
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 327.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 102771142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).