2-(aminomethyl)-3-bromo-N-tert-butylaniline

C11H17BrN2 — CID 114879629

IUPAC2-(aminomethyl)-3-bromo-N-tert-butylaniline
SMILESCC(C)(C)Nc1cccc(Br)c1CN
InChIInChI=1S/C11H17BrN2/c1-11(2,3)14-10-6-4-5-9(12)8(10)7-13/h4-6,14H,7,13H2,1-3H3
InChIKeyLNBJHSYSCIEPKK-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.12
Rot. Bonds2

About 2-(aminomethyl)-3-bromo-N-tert-butylaniline

2-(aminomethyl)-3-bromo-N-tert-butylaniline (PubChem CID 114879629) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-(aminomethyl)-3-bromo-N-tert-butylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-bromo-N-tert-butylaniline
PubChem CID114879629
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name2-(aminomethyl)-3-bromo-N-tert-butylaniline
SMILESCC(C)(C)Nc1cccc(Br)c1CN
InChIInChI=1S/C11H17BrN2/c1-11(2,3)14-10-6-4-5-9(12)8(10)7-13/h4-6,14H,7,13H2,1-3H3
InChIKeyLNBJHSYSCIEPKK-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol
CID 114986435
[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 114880008
1-N,5-N-ditert-butylnaphthalene-1,5-diamine
CID 58895651
N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide
CID 151325268
3-bromo-2-N-tert-butylbenzene-1,2-diamine
CID 10490397
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 119018838
[2-bromo-6-(4-tert-butylphenyl)sulfanylphenyl]methanamine
CID 114884650
N-[3-bromo-2-(methoxymethyl)phenyl]-N'-tert-butylethane-1,2-diamine
CID 107445429
2-[(1-amino-2-methylpropan-2-yl)amino]-6-bromobenzamide
CID 114884778
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535
2-(aminomethyl)-3-bromobenzaldehyde
CID 123452116
1-N-tert-butyl-3-chlorobenzene-1,2-diamine
CID 68721117

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-bromo-N-tert-butylaniline?
The IUPAC name of 2-(aminomethyl)-3-bromo-N-tert-butylaniline (CID 114879629) is 2-(aminomethyl)-3-bromo-N-tert-butylaniline.
What is the SMILES notation for 2-(aminomethyl)-3-bromo-N-tert-butylaniline?
The canonical SMILES for 2-(aminomethyl)-3-bromo-N-tert-butylaniline is CC(C)(C)Nc1cccc(Br)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-bromo-N-tert-butylaniline?
The InChIKey is LNBJHSYSCIEPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-11(2,3)14-10-6-4-5-9(12)8(10)7-13/h4-6,14H,7,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-bromo-N-tert-butylaniline?
2-(aminomethyl)-3-bromo-N-tert-butylaniline has a molecular weight of 257.17 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-bromo-N-tert-butylaniline is sourced from PubChem (CID 114879629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).