N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride

C19H28ClN — CID 175237444

IUPACN-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ccccc1C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H27N.ClH/c1-2-20-13-17-5-3-4-6-18(17)19-10-14-7-15(11-19)9-16(8-14)12-19;/h3-6,14-16,20H,2,7-13H2,1H3;1H
InChIKeyHFGOZPNMRZKNKP-UHFFFAOYSA-N
MW305.89 g/mol
LogP4.69
Rot. Bonds4

About N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride

N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride (PubChem CID 175237444) has the molecular formula C19H28ClN and a molecular weight of 305.89 g/mol. Its IUPAC name is N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride
PubChem CID175237444
Molecular FormulaC19H28ClN
Molecular Weight305.89 g/mol
Exact Mass305.19
IUPAC NameN-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride
SMILESCCNCc1ccccc1C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H27N.ClH/c1-2-20-13-17-5-3-4-6-18(17)19-10-14-7-15(11-19)9-16(8-14)12-19;/h3-6,14-16,20H,2,7-13H2,1H3;1H
InChIKeyHFGOZPNMRZKNKP-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.89
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride (CID 175237444) is N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride is CCNCc1ccccc1C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride?
The InChIKey is HFGOZPNMRZKNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N.ClH/c1-2-20-13-17-5-3-4-6-18(17)19-10-14-7-15(11-19)9-16(8-14)12-19;/h3-6,14-16,20H,2,7-13H2,1H3;1H.
What are the key properties of N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride?
N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride has a molecular weight of 305.89 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-adamantyl)phenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 175237444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).