N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride

C18H25Cl2N — CID 21435434

IUPACN-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride
SMILESCN(Cc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C18H24ClN.ClH/c1-20(12-16-4-2-3-5-17(16)19)18-9-13-6-14(10-18)8-15(7-13)11-18;/h2-5,13-15H,6-12H2,1H3;1H
InChIKeyHDFOEOBPBUOXEZ-UHFFFAOYSA-N
MW326.31 g/mol
LogP5.16
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride

N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride (PubChem CID 21435434) has the molecular formula C18H25Cl2N and a molecular weight of 326.31 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride
PubChem CID21435434
Molecular FormulaC18H25Cl2N
Molecular Weight326.31 g/mol
Exact Mass325.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride
SMILESCN(Cc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C18H24ClN.ClH/c1-20(12-16-4-2-3-5-17(16)19)18-9-13-6-14(10-18)8-15(7-13)11-18;/h2-5,13-15H,6-12H2,1H3;1H
InChIKeyHDFOEOBPBUOXEZ-UHFFFAOYSA-N
XLogP5.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.31
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride (CID 21435434) is N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride is CN(Cc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride?
The InChIKey is HDFOEOBPBUOXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN.ClH/c1-20(12-16-4-2-3-5-17(16)19)18-9-13-6-14(10-18)8-15(7-13)11-18;/h2-5,13-15H,6-12H2,1H3;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride?
N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride has a molecular weight of 326.31 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyladamantan-1-amine;hydrochloride is sourced from PubChem (CID 21435434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).