5-bromo-2-(cyclopropylmethyl)aniline

C10H12BrN — CID 105483648

IUPAC5-bromo-2-(cyclopropylmethyl)aniline
SMILESNc1cc(Br)ccc1CC1CC1
InChIInChI=1S/C10H12BrN/c11-9-4-3-8(10(12)6-9)5-7-1-2-7/h3-4,6-7H,1-2,5,12H2
InChIKeyIXBMNRZOYVBBJQ-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.98
Rot. Bonds2

About 5-bromo-2-(cyclopropylmethyl)aniline

5-bromo-2-(cyclopropylmethyl)aniline (PubChem CID 105483648) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 5-bromo-2-(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-(cyclopropylmethyl)aniline
PubChem CID105483648
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name5-bromo-2-(cyclopropylmethyl)aniline
SMILESNc1cc(Br)ccc1CC1CC1
InChIInChI=1S/C10H12BrN/c11-9-4-3-8(10(12)6-9)5-7-1-2-7/h3-4,6-7H,1-2,5,12H2
InChIKeyIXBMNRZOYVBBJQ-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-bromo-2-nitrophenyl)methyl]oxane;5-bromo-2-(oxan-4-ylmethyl)aniline
CID 161127875
5-bromo-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 79713383
2-(cyclopropylmethyl)aniline
CID 55285261
5-bromo-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79712980
2-(cycloheptylmethyl)-5-methylaniline
CID 105471815
5-chloro-2-(cyclohexylmethyl)aniline
CID 105481516
5-bromo-2-(cyclopentylsulfonylmethyl)aniline
CID 114382140
5-bromo-2-(piperidin-4-ylmethyl)benzonitrile
CID 84811541
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000
2-(3-aminopropyl)-5-bromoaniline
CID 53434170
5-bromo-2-[(4-ethylazepan-1-yl)methyl]aniline
CID 79713595
4-bromo-2-(cyclohexylmethyl)-1-methylbenzene
CID 126628314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclopropylmethyl)aniline?
The IUPAC name of 5-bromo-2-(cyclopropylmethyl)aniline (CID 105483648) is 5-bromo-2-(cyclopropylmethyl)aniline.
What is the SMILES notation for 5-bromo-2-(cyclopropylmethyl)aniline?
The canonical SMILES for 5-bromo-2-(cyclopropylmethyl)aniline is Nc1cc(Br)ccc1CC1CC1.
What is the InChIKey of 5-bromo-2-(cyclopropylmethyl)aniline?
The InChIKey is IXBMNRZOYVBBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-9-4-3-8(10(12)6-9)5-7-1-2-7/h3-4,6-7H,1-2,5,12H2.
What are the key properties of 5-bromo-2-(cyclopropylmethyl)aniline?
5-bromo-2-(cyclopropylmethyl)aniline has a molecular weight of 226.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclopropylmethyl)aniline is sourced from PubChem (CID 105483648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).