N-[2-adamantyl(phenyl)methyl]ethanamine

C19H27N — CID 81098673

IUPACN-[2-adamantyl(phenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H27N/c1-2-20-19(15-6-4-3-5-7-15)18-16-9-13-8-14(11-16)12-17(18)10-13/h3-7,13-14,16-20H,2,8-12H2,1H3
InChIKeyZRKVHGRFXIACNJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.41
Rot. Bonds4

About N-[2-adamantyl(phenyl)methyl]ethanamine

N-[2-adamantyl(phenyl)methyl]ethanamine (PubChem CID 81098673) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-adamantyl(phenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2-adamantyl(phenyl)methyl]ethanamine
PubChem CID81098673
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[2-adamantyl(phenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H27N/c1-2-20-19(15-6-4-3-5-7-15)18-16-9-13-8-14(11-16)12-17(18)10-13/h3-7,13-14,16-20H,2,8-12H2,1H3
InChIKeyZRKVHGRFXIACNJ-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[2-adamantyl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861503
(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine
CID 7573924
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine
CID 112681259
2-adamantyl(phenyl)methanamine
CID 81096130
2-[methoxy(phenyl)methyl]adamantane
CID 86199572
(1R)-N-(2-adamantylmethyl)-1-phenylethanamine
CID 134991731
1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029389
[2-adamantyl-(3-methylphenyl)methyl]hydrazine
CID 105284960
N-(1-phenylethyl)adamantan-2-amine
CID 43405877
N-[(1S)-1-phenylethyl]adamantan-2-amine
CID 81350698
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342

Frequently Asked Questions

What is the IUPAC name of N-[2-adamantyl(phenyl)methyl]ethanamine?
The IUPAC name of N-[2-adamantyl(phenyl)methyl]ethanamine (CID 81098673) is N-[2-adamantyl(phenyl)methyl]ethanamine.
What is the SMILES notation for N-[2-adamantyl(phenyl)methyl]ethanamine?
The canonical SMILES for N-[2-adamantyl(phenyl)methyl]ethanamine is CCNC(c1ccccc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-adamantyl(phenyl)methyl]ethanamine?
The InChIKey is ZRKVHGRFXIACNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-2-20-19(15-6-4-3-5-7-15)18-16-9-13-8-14(11-16)12-17(18)10-13/h3-7,13-14,16-20H,2,8-12H2,1H3.
What are the key properties of N-[2-adamantyl(phenyl)methyl]ethanamine?
N-[2-adamantyl(phenyl)methyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-adamantyl(phenyl)methyl]ethanamine is sourced from PubChem (CID 81098673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).