N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline

C11H15BrN2 — CID 115256437

IUPACN-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline
SMILESCc1ccc(Br)cc1NCC1(N)CC1
InChIInChI=1S/C11H15BrN2/c1-8-2-3-9(12)6-10(8)14-7-11(13)4-5-11/h2-3,6,14H,4-5,7,13H2,1H3
InChIKeyOPESRKLOWRTPBH-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.66
Rot. Bonds3

About N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline

N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline (PubChem CID 115256437) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline
PubChem CID115256437
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC NameN-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline
SMILESCc1ccc(Br)cc1NCC1(N)CC1
InChIInChI=1S/C11H15BrN2/c1-8-2-3-9(12)6-10(8)14-7-11(13)4-5-11/h2-3,6,14H,4-5,7,13H2,1H3
InChIKeyOPESRKLOWRTPBH-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246072
N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199854
methyl 1-[(5-bromo-2-methylanilino)methyl]cyclobutane-1-carboxylate
CID 115247224
N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline
CID 115212391
4-[(5-bromo-2-methylanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499151
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
5-bromo-N-but-2-ynyl-2-methylaniline
CID 62311932
5-bromo-N-(2-methoxyethyl)-2-methylaniline
CID 43806040
(5-bromo-2-methylphenyl)hydrazine;hydrochloride
CID 22279963
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119762938
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
3-(5-bromo-2-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643996

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline (CID 115256437) is N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline is Cc1ccc(Br)cc1NCC1(N)CC1.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline?
The InChIKey is OPESRKLOWRTPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-2-3-9(12)6-10(8)14-7-11(13)4-5-11/h2-3,6,14H,4-5,7,13H2,1H3.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline?
N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline has a molecular weight of 255.16 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline is sourced from PubChem (CID 115256437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).