1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine

C20H29N — CID 146000383

IUPAC1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine
SMILESCCc1ccc(CNCC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C20H29N/c1-2-14-3-5-15(6-4-14)12-21-13-20-18-8-16-7-17(10-18)11-19(20)9-16/h3-6,16-21H,2,7-13H2,1H3
InChIKeyPJTPWOZIPCCJFU-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.41
Rot. Bonds5

About 1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine

1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine (PubChem CID 146000383) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine
PubChem CID146000383
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine
SMILESCCc1ccc(CNCC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C20H29N/c1-2-14-3-5-15(6-4-14)12-21-13-20-18-8-16-7-17(10-18)11-19(20)9-16/h3-6,16-21H,2,7-13H2,1H3
InChIKeyPJTPWOZIPCCJFU-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine (CID 146000383) is 1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine is CCc1ccc(CNCC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine?
The InChIKey is PJTPWOZIPCCJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-2-14-3-5-15(6-4-14)12-21-13-20-18-8-16-7-17(10-18)11-19(20)9-16/h3-6,16-21H,2,7-13H2,1H3.
What are the key properties of 1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine?
1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine has a molecular weight of 283.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-[(4-ethylphenyl)methyl]methanamine is sourced from PubChem (CID 146000383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).