N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride

C15H22ClN — CID 19107108

IUPACN-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride
SMILESCNC12CCCCC1CCc1ccccc12.Cl
InChIInChI=1S/C15H21N.ClH/c1-16-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)15;/h2-3,6,8,13,16H,4-5,7,9-11H2,1H3;1H
InChIKeyFECBIIBDNXYWRH-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.66
Rot. Bonds1

About N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride

N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride (PubChem CID 19107108) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride
PubChem CID19107108
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride
SMILESCNC12CCCCC1CCc1ccccc12.Cl
InChIInChI=1S/C15H21N.ClH/c1-16-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)15;/h2-3,6,8,13,16H,4-5,7,9-11H2,1H3;1H
InChIKeyFECBIIBDNXYWRH-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride?
The IUPAC name of N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride (CID 19107108) is N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride.
What is the SMILES notation for N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride?
The canonical SMILES for N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride is CNC12CCCCC1CCc1ccccc12.Cl.
What is the InChIKey of N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride?
The InChIKey is FECBIIBDNXYWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.ClH/c1-16-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)15;/h2-3,6,8,13,16H,4-5,7,9-11H2,1H3;1H.
What are the key properties of N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride?
N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride is sourced from PubChem (CID 19107108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).