4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine

C14H21BrN2 — CID 116937185

IUPAC4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(Br)cc1C(N)C1CCC(N)CC1
InChIInChI=1S/C14H21BrN2/c1-9-2-5-11(15)8-13(9)14(17)10-3-6-12(16)7-4-10/h2,5,8,10,12,14H,3-4,6-7,16-17H2,1H3
InChIKeyWUVYRLSJAJYVMC-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.27
Rot. Bonds2

About 4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine

4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 116937185) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID116937185
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(Br)cc1C(N)C1CCC(N)CC1
InChIInChI=1S/C14H21BrN2/c1-9-2-5-11(15)8-13(9)14(17)10-3-6-12(16)7-4-10/h2,5,8,10,12,14H,3-4,6-7,16-17H2,1H3
InChIKeyWUVYRLSJAJYVMC-UHFFFAOYSA-N
XLogP3.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104988213
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104987996
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
[3-[(R)-amino(cyclopropyl)methyl]-4-methylphenyl]methanol
CID 130665283
(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
CID 104990915

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine (CID 116937185) is 4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine is Cc1ccc(Br)cc1C(N)C1CCC(N)CC1.
What is the InChIKey of 4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is WUVYRLSJAJYVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-9-2-5-11(15)8-13(9)14(17)10-3-6-12(16)7-4-10/h2,5,8,10,12,14H,3-4,6-7,16-17H2,1H3.
What are the key properties of 4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine?
4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116937185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).