N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride

C19H29ClN2 — CID 2941255

IUPACN-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride
SMILESCN(C)c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1.Cl
InChIInChI=1S/C19H28N2.ClH/c1-21(2)18-5-3-13(4-6-18)12-20-19-16-8-14-7-15(10-16)11-17(19)9-14;/h3-6,14-17,19-20H,7-12H2,1-2H3;1H
InChIKeyWSLPOJCDKLVLOL-UHFFFAOYSA-N
MW320.91 g/mol
LogP4.09
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride

N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride (PubChem CID 2941255) has the molecular formula C19H29ClN2 and a molecular weight of 320.91 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride
PubChem CID2941255
Molecular FormulaC19H29ClN2
Molecular Weight320.91 g/mol
Exact Mass320.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride
SMILESCN(C)c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1.Cl
InChIInChI=1S/C19H28N2.ClH/c1-21(2)18-5-3-13(4-6-18)12-20-19-16-8-14-7-15(10-16)11-17(19)9-14;/h3-6,14-17,19-20H,7-12H2,1-2H3;1H
InChIKeyWSLPOJCDKLVLOL-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride (CID 2941255) is N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride is CN(C)c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1.Cl.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride?
The InChIKey is WSLPOJCDKLVLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2.ClH/c1-21(2)18-5-3-13(4-6-18)12-20-19-16-8-14-7-15(10-16)11-17(19)9-14;/h3-6,14-17,19-20H,7-12H2,1-2H3;1H.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride?
N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride has a molecular weight of 320.91 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]adamantan-2-amine;hydrochloride is sourced from PubChem (CID 2941255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).