N-(5-bromo-2-methylphenyl)adamantan-2-amine

C17H22BrN — CID 43729666

IUPACN-(5-bromo-2-methylphenyl)adamantan-2-amine
SMILESCc1ccc(Br)cc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22BrN/c1-10-2-3-15(18)9-16(10)19-17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,9,11-14,17,19H,4-8H2,1H3
InChIKeyAIRVNXGIHYIXDK-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.99
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)adamantan-2-amine

N-(5-bromo-2-methylphenyl)adamantan-2-amine (PubChem CID 43729666) has the molecular formula C17H22BrN and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)adamantan-2-amine
PubChem CID43729666
Molecular FormulaC17H22BrN
Molecular Weight320.27 g/mol
Exact Mass319.09
IUPAC NameN-(5-bromo-2-methylphenyl)adamantan-2-amine
SMILESCc1ccc(Br)cc1NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22BrN/c1-10-2-3-15(18)9-16(10)19-17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,9,11-14,17,19H,4-8H2,1H3
InChIKeyAIRVNXGIHYIXDK-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-methylphenyl)adamantan-2-amine
CID 43621626
N-(2-methyl-5-nitrophenyl)adamantan-2-amine
CID 43718569
1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine
CID 80560844
N-(3-bromo-2-methylphenyl)adamantan-2-amine
CID 107630265
N-(3-bromophenyl)adamantan-2-amine
CID 3481796
5-bromo-N-[3-(4-bromophenyl)cyclobutyl]-2-methylaniline
CID 43729681
N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine
CID 79941633
N-(5-bromo-2-methylphenyl)thian-4-amine
CID 43729710
5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681987
trans-(1R,2R)-2-(5-bromo-2-methylanilino)cyclopentan-1-ol
CID 102733136
N-(4-ethoxy-2-methylphenyl)adamantan-2-amine
CID 63451444
5-bromo-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43729668

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)adamantan-2-amine?
The IUPAC name of N-(5-bromo-2-methylphenyl)adamantan-2-amine (CID 43729666) is N-(5-bromo-2-methylphenyl)adamantan-2-amine.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)adamantan-2-amine?
The canonical SMILES for N-(5-bromo-2-methylphenyl)adamantan-2-amine is Cc1ccc(Br)cc1NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(5-bromo-2-methylphenyl)adamantan-2-amine?
The InChIKey is AIRVNXGIHYIXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN/c1-10-2-3-15(18)9-16(10)19-17-13-5-11-4-12(7-13)8-14(17)6-11/h2-3,9,11-14,17,19H,4-8H2,1H3.
What are the key properties of N-(5-bromo-2-methylphenyl)adamantan-2-amine?
N-(5-bromo-2-methylphenyl)adamantan-2-amine has a molecular weight of 320.27 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)adamantan-2-amine is sourced from PubChem (CID 43729666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).