N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine

C16H23N — CID 19107093

IUPACN,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCNC12CCCCC1CC(C)c1ccccc12
InChIInChI=1S/C16H23N/c1-12-11-13-7-5-6-10-16(13,17-2)15-9-4-3-8-14(12)15/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3
InChIKeyLATMEMFFKNJSDV-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.80
Rot. Bonds1

About N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine

N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (PubChem CID 19107093) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.

Molecular Properties

Compound NameN,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
PubChem CID19107093
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCNC12CCCCC1CC(C)c1ccccc12
InChIInChI=1S/C16H23N/c1-12-11-13-7-5-6-10-16(13,17-2)15-9-4-3-8-14(12)15/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3
InChIKeyLATMEMFFKNJSDV-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tametraline Hydrochloride
CID 104180
1-Naphthylamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride, (Z)-
CID 3034724
N-Methyl-1-phenylcyclohexylamine
CID 262910
Tametraline
CID 163308
1,2,3,4,4a,5,10,10a-Octahydro-benzo(g)quinoline
CID 20186598
(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10060088
N-methyl(triphenyl)methanamine
CID 4419328
N-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259867
Propylamine, 2-methyl-N-trityl-
CID 76954
N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46475
3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine
CID 10399921
(9,10-Dihydro-anthracen-9-ylmethyl)-methyl-amine
CID 44313266

Frequently Asked Questions

What is the IUPAC name of N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The IUPAC name of N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (CID 19107093) is N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.
What is the SMILES notation for N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The canonical SMILES for N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is CNC12CCCCC1CC(C)c1ccccc12.
What is the InChIKey of N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The InChIKey is LATMEMFFKNJSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-11-13-7-5-6-10-16(13,17-2)15-9-4-3-8-14(12)15/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3.
What are the key properties of N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine has a molecular weight of 229.37 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is sourced from PubChem (CID 19107093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).