2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine

C13H19BrN2 — CID 65378521

IUPAC2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine
SMILESCCC(CN)(Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C13H19BrN2/c1-2-13(9-15,10-6-7-10)16-12-5-3-4-11(14)8-12/h3-5,8,10,16H,2,6-7,9,15H2,1H3
InChIKeyCARVFGKBPDMNNP-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.38
Rot. Bonds5

About 2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine

2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine (PubChem CID 65378521) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine
PubChem CID65378521
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine
SMILESCCC(CN)(Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C13H19BrN2/c1-2-13(9-15,10-6-7-10)16-12-5-3-4-11(14)8-12/h3-5,8,10,16H,2,6-7,9,15H2,1H3
InChIKeyCARVFGKBPDMNNP-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-chlorophenyl)-2-cyclopropylbutane-1,2-diamine
CID 65382963
methyl 2-(3-bromoanilino)-2-cyclopropylbutanoate
CID 64917845
2-(3-bromoanilino)-2-cyclopropylpropanamide
CID 61006538
2-(3-bromoanilino)-2-cyclopropylpropanoic acid
CID 60994138
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
2-(3-bromoanilino)-2-cyclohexylpropanenitrile
CID 54886889
2-(3-bromoanilino)-2-methylpropan-1-ol
CID 61048662
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline
CID 65376853
2-(3-bromoanilino)-2-methylpentan-1-ol
CID 61047859
1-(3-bromophenyl)-2-ethylhydrazine
CID 57309117
3-bromo-N-[2-(4-tert-butylpiperidin-1-yl)ethyl]aniline
CID 63502175
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine (CID 65378521) is 2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine is CCC(CN)(Nc1cccc(Br)c1)C1CC1.
What is the InChIKey of 2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine?
The InChIKey is CARVFGKBPDMNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-2-13(9-15,10-6-7-10)16-12-5-3-4-11(14)8-12/h3-5,8,10,16H,2,6-7,9,15H2,1H3.
What are the key properties of 2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine?
2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine has a molecular weight of 283.21 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine is sourced from PubChem (CID 65378521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).