N-(2-methylphenyl)adamantan-1-amine

C17H23N — CID 68755177

IUPACN-(2-methylphenyl)adamantan-1-amine
SMILESCc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23N/c1-12-4-2-3-5-16(12)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15,18H,6-11H2,1H3
InChIKeyVLTCHRVXQXYAHZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.38
Rot. Bonds2

About N-(2-methylphenyl)adamantan-1-amine

N-(2-methylphenyl)adamantan-1-amine (PubChem CID 68755177) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(2-methylphenyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)adamantan-1-amine
PubChem CID68755177
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-(2-methylphenyl)adamantan-1-amine
SMILESCc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23N/c1-12-4-2-3-5-16(12)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15,18H,6-11H2,1H3
InChIKeyVLTCHRVXQXYAHZ-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)adamantan-1-amine?
The IUPAC name of N-(2-methylphenyl)adamantan-1-amine (CID 68755177) is N-(2-methylphenyl)adamantan-1-amine.
What is the SMILES notation for N-(2-methylphenyl)adamantan-1-amine?
The canonical SMILES for N-(2-methylphenyl)adamantan-1-amine is Cc1ccccc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-methylphenyl)adamantan-1-amine?
The InChIKey is VLTCHRVXQXYAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-12-4-2-3-5-16(12)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15,18H,6-11H2,1H3.
What are the key properties of N-(2-methylphenyl)adamantan-1-amine?
N-(2-methylphenyl)adamantan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)adamantan-1-amine is sourced from PubChem (CID 68755177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).