N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine

C15H20BrN — CID 105401525

IUPACN-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(CNC2CC3CCC2C3)cc1Br
InChIInChI=1S/C15H20BrN/c1-10-2-3-12(7-14(10)16)9-17-15-8-11-4-5-13(15)6-11/h2-3,7,11,13,15,17H,4-6,8-9H2,1H3
InChIKeyUYGYMPJMBZWGLB-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.04
Rot. Bonds3

About N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine

N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 105401525) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID105401525
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(CNC2CC3CCC2C3)cc1Br
InChIInChI=1S/C15H20BrN/c1-10-2-3-12(7-14(10)16)9-17-15-8-11-4-5-13(15)6-11/h2-3,7,11,13,15,17H,4-6,8-9H2,1H3
InChIKeyUYGYMPJMBZWGLB-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine
CID 105401271
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115968191
N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 130636961
N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 23736358
N-[(3-bromo-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115876037
N'-(2-bicyclo[2.2.1]heptanyl)-N-[3-(3,4-dimethylphenyl)propyl]ethane-1,2-diamine
CID 58270673
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid
CID 103254735
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789769
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 105401525) is N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine is Cc1ccc(CNC2CC3CCC2C3)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is UYGYMPJMBZWGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c1-10-2-3-12(7-14(10)16)9-17-15-8-11-4-5-13(15)6-11/h2-3,7,11,13,15,17H,4-6,8-9H2,1H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 294.24 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 105401525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).