N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride

C18H20ClN — CID 16682357

IUPACN,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride
SMILESCc1cc2ccc3ccccc3c2cc1CN(C)C.Cl
InChIInChI=1S/C18H19N.ClH/c1-13-10-15-9-8-14-6-4-5-7-17(14)18(15)11-16(13)12-19(2)3;/h4-11H,12H2,1-3H3;1H
InChIKeyXQZPEFXLSQJERS-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.78
Rot. Bonds2

About N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride

N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride (PubChem CID 16682357) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride
PubChem CID16682357
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride
SMILESCc1cc2ccc3ccccc3c2cc1CN(C)C.Cl
InChIInChI=1S/C18H19N.ClH/c1-13-10-15-9-8-14-6-4-5-7-17(14)18(15)11-16(13)12-19(2)3;/h4-11H,12H2,1-3H3;1H
InChIKeyXQZPEFXLSQJERS-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride (CID 16682357) is N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride is Cc1cc2ccc3ccccc3c2cc1CN(C)C.Cl.
What is the InChIKey of N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride?
The InChIKey is XQZPEFXLSQJERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-13-10-15-9-8-14-6-4-5-7-17(14)18(15)11-16(13)12-19(2)3;/h4-11H,12H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride?
N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylphenanthren-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 16682357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).