N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine

C14H23BrN2 — CID 102769820

IUPACN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine
SMILESCCCC(C)N(C)Cc1ccc(CN)cc1Br
InChIInChI=1S/C14H23BrN2/c1-4-5-11(2)17(3)10-13-7-6-12(9-16)8-14(13)15/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyOUXQQYHDERDYRN-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.53
Rot. Bonds6

About N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine

N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine (PubChem CID 102769820) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine
PubChem CID102769820
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine
SMILESCCCC(C)N(C)Cc1ccc(CN)cc1Br
InChIInChI=1S/C14H23BrN2/c1-4-5-11(2)17(3)10-13-7-6-12(9-16)8-14(13)15/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyOUXQQYHDERDYRN-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 102768407
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 102770501
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 102771838
[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
CID 162330321
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine
CID 102771592
N-[[2-bromo-4-(propylaminomethyl)phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 102769747
[3-bromo-4-[[(3-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102769331
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine
CID 114238251
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine
CID 55001670
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine
CID 62434374
[3-bromo-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 102772379

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine (CID 102769820) is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine is CCCC(C)N(C)Cc1ccc(CN)cc1Br.
What is the InChIKey of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine?
The InChIKey is OUXQQYHDERDYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-5-11(2)17(3)10-13-7-6-12(9-16)8-14(13)15/h6-8,11H,4-5,9-10,16H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine?
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine has a molecular weight of 299.26 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methylpentan-2-amine is sourced from PubChem (CID 102769820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).