4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine

C11H15BrN2 — CID 60985000

IUPAC4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
SMILESCN(CC1CC1)c1ccc(Br)cc1N
InChIInChI=1S/C11H15BrN2/c1-14(7-8-2-3-8)11-5-4-9(12)6-10(11)13/h4-6,8H,2-3,7,13H2,1H3
InChIKeyBGPPARATTYBNJU-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.88
Rot. Bonds3

About 4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine

4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 60985000) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
PubChem CID60985000
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
SMILESCN(CC1CC1)c1ccc(Br)cc1N
InChIInChI=1S/C11H15BrN2/c1-14(7-8-2-3-8)11-5-4-9(12)6-10(11)13/h4-6,8H,2-3,7,13H2,1H3
InChIKeyBGPPARATTYBNJU-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-N-methyl-1-N-(oxan-3-ylmethyl)benzene-1,2-diamine
CID 63726450
4-bromo-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]benzene-1,2-diamine
CID 114088490
4-bromo-2-N-(cyclopropylmethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735579
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
CID 66063936
4-bromo-2-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline
CID 114061767
3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
CID 61444804
4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine
CID 65342336
5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
CID 114894118
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
CID 43568860
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine (CID 60985000) is 4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine is CN(CC1CC1)c1ccc(Br)cc1N.
What is the InChIKey of 4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is BGPPARATTYBNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-14(7-8-2-3-8)11-5-4-9(12)6-10(11)13/h4-6,8H,2-3,7,13H2,1H3.
What are the key properties of 4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine?
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 255.16 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 60985000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).