2-(1-adamantyl)-N-methylaniline

C17H23N — CID 3963128

IUPAC2-(1-adamantyl)-N-methylaniline
SMILESCNc1ccccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23N/c1-18-16-5-3-2-4-15(16)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14,18H,6-11H2,1H3
InChIKeyRBMKICZNKJYQPJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.20
Rot. Bonds2

About 2-(1-adamantyl)-N-methylaniline

2-(1-adamantyl)-N-methylaniline (PubChem CID 3963128) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-methylaniline.

Molecular Properties

Compound Name2-(1-adamantyl)-N-methylaniline
PubChem CID3963128
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2-(1-adamantyl)-N-methylaniline
SMILESCNc1ccccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23N/c1-18-16-5-3-2-4-15(16)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14,18H,6-11H2,1H3
InChIKeyRBMKICZNKJYQPJ-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
4-(Adamantan-1-yl)aniline
CID 598544
N-[4-(1-Adamantyl)phenyl]acetamide
CID 536624
4-(Adamantan-1-yl)aniline hydrochloride
CID 2771137
N-Methylbiphenyl-2-amine
CID 12246986
4,4'-(Phenylmethylene)bis(N-methylaniline)
CID 12421730
4-[[4-(Dimethylamino) phenyl]-phenylmethyl]-N-methylaniline
CID 71091427
N',N'-diethyl-N-(2-phenylphenyl)propane-1,3-diamine
CID 44399386
1-[4-[1-Adamantyl(phenyl)methyl]phenyl]piperazine
CID 70683538
N-(1-adamantylmethyl)-2-ethylaniline;hydrochloride
CID 137632482
N-(1-adamantylmethyl)-2-propan-2-ylaniline;hydrochloride
CID 137644824
N-(1-adamantylmethyl)-3,5-difluoroaniline;hydrochloride
CID 137658559

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-methylaniline?
The IUPAC name of 2-(1-adamantyl)-N-methylaniline (CID 3963128) is 2-(1-adamantyl)-N-methylaniline.
What is the SMILES notation for 2-(1-adamantyl)-N-methylaniline?
The canonical SMILES for 2-(1-adamantyl)-N-methylaniline is CNc1ccccc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-methylaniline?
The InChIKey is RBMKICZNKJYQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-18-16-5-3-2-4-15(16)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14,18H,6-11H2,1H3.
What are the key properties of 2-(1-adamantyl)-N-methylaniline?
2-(1-adamantyl)-N-methylaniline has a molecular weight of 241.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-methylaniline is sourced from PubChem (CID 3963128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).