N-(3-bromophenyl)adamantan-2-amine

C16H20BrN — CID 3481796

IUPACN-(3-bromophenyl)adamantan-2-amine
SMILESBrc1cccc(NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C16H20BrN/c17-14-2-1-3-15(9-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16,18H,4-8H2
InChIKeyGTZSYEROEAOWQS-UHFFFAOYSA-N
MW306.25 g/mol
LogP4.69
Rot. Bonds2

About N-(3-bromophenyl)adamantan-2-amine

N-(3-bromophenyl)adamantan-2-amine (PubChem CID 3481796) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is N-(3-bromophenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)adamantan-2-amine
PubChem CID3481796
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC NameN-(3-bromophenyl)adamantan-2-amine
SMILESBrc1cccc(NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C16H20BrN/c17-14-2-1-3-15(9-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16,18H,4-8H2
InChIKeyGTZSYEROEAOWQS-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromo-2-methylphenyl)adamantan-2-amine
CID 43729666
N-(3,4-dichlorophenyl)adamantan-2-amine
CID 43621642
N-(2-adamantyl)-3-bromobenzamide
CID 771513
N-(4-bromo-2-methylphenyl)adamantan-2-amine
CID 43621626
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43762853
N-(3-bromo-2-methylphenyl)adamantan-2-amine
CID 107630265
N-(2-bromo-3-chlorophenyl)adamantan-2-amine
CID 103478340
3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline
CID 43633547
N-(3-bromophenyl)oxan-4-amine
CID 43608425
2-(3-bromoanilino)cyclobutane-1-carboxylic acid
CID 103234478
1-(2-adamantyl)-2-phenylhydrazine
CID 13349717

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)adamantan-2-amine?
The IUPAC name of N-(3-bromophenyl)adamantan-2-amine (CID 3481796) is N-(3-bromophenyl)adamantan-2-amine.
What is the SMILES notation for N-(3-bromophenyl)adamantan-2-amine?
The canonical SMILES for N-(3-bromophenyl)adamantan-2-amine is Brc1cccc(NC2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-(3-bromophenyl)adamantan-2-amine?
The InChIKey is GTZSYEROEAOWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c17-14-2-1-3-15(9-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16,18H,4-8H2.
What are the key properties of N-(3-bromophenyl)adamantan-2-amine?
N-(3-bromophenyl)adamantan-2-amine has a molecular weight of 306.25 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)adamantan-2-amine is sourced from PubChem (CID 3481796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).