1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine

C15H17BrN2 — CID 116952245

IUPAC1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(CN)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-18-15(13-3-2-4-14(16)9-13)12-7-5-11(10-17)6-8-12/h2-9,15,18H,10,17H2,1H3
InChIKeyADCCZYHZJDVYCH-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.22
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine

1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine (PubChem CID 116952245) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine
PubChem CID116952245
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(CN)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-18-15(13-3-2-4-14(16)9-13)12-7-5-11(10-17)6-8-12/h2-9,15,18H,10,17H2,1H3
InChIKeyADCCZYHZJDVYCH-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 116952153
1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480640
1-[4-(aminomethyl)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 116952210
[(3-bromophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105197895
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 62491207
1-(3-bromophenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63948375
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488257
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107975019

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine (CID 116952245) is 1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine is CNC(c1ccc(CN)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine?
The InChIKey is ADCCZYHZJDVYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-18-15(13-3-2-4-14(16)9-13)12-7-5-11(10-17)6-8-12/h2-9,15,18H,10,17H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine?
1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine has a molecular weight of 305.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine is sourced from PubChem (CID 116952245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).