N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine

C18H24BrN — CID 105401271

IUPACN-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine
SMILESCc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1Br
InChIInChI=1S/C18H24BrN/c1-11-2-3-12(9-17(11)19)10-20-18-15-5-13-4-14(7-15)8-16(18)6-13/h2-3,9,13-16,18,20H,4-8,10H2,1H3
InChIKeyXANSDDNBOPLUDB-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.67
Rot. Bonds3

About N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine

N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine (PubChem CID 105401271) has the molecular formula C18H24BrN and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine
PubChem CID105401271
Molecular FormulaC18H24BrN
Molecular Weight334.30 g/mol
Exact Mass333.11
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine
SMILESCc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1Br
InChIInChI=1S/C18H24BrN/c1-11-2-3-12(9-17(11)19)10-20-18-15-5-13-4-14(7-15)8-16(18)6-13/h2-3,9,13-16,18,20H,4-8,10H2,1H3
InChIKeyXANSDDNBOPLUDB-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
N-[(4-methoxy-3-methylphenyl)methyl]adamantan-2-amine;oxalic acid
CID 17367800
5-[(2-adamantylamino)methyl]-2-methoxyphenol
CID 43221925
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
N-[(2-bromophenyl)methyl]adamantan-2-amine
CID 3741625
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 105401359
N-[(3-methoxy-4-propoxyphenyl)methyl]adamantan-2-amine
CID 29225745
N-[(3-bromo-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 105401472
N-(5-bromo-2-methylphenyl)adamantan-2-amine
CID 43729666
N-[(3-bromo-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115876037

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine (CID 105401271) is N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine is Cc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine?
The InChIKey is XANSDDNBOPLUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN/c1-11-2-3-12(9-17(11)19)10-20-18-15-5-13-4-14(7-15)8-16(18)6-13/h2-3,9,13-16,18,20H,4-8,10H2,1H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine?
N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine has a molecular weight of 334.30 g/mol, XLogP of 4.67, 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]adamantan-2-amine is sourced from PubChem (CID 105401271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).