(1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine

C20H23NO — CID 24884666

IUPAC(1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine
SMILESc1ccc(CN[C@@H]2CCC[C@H]3OCc4ccccc4[C@@H]23)cc1
InChIInChI=1S/C20H23NO/c1-2-7-15(8-3-1)13-21-18-11-6-12-19-20(18)17-10-5-4-9-16(17)14-22-19/h1-5,7-10,18-21H,6,11-14H2/t18-,19-,20+/m1/s1
InChIKeyXPYISFYVVBTBOG-AQNXPRMDSA-N
MW293.41 g/mol
LogP4.01
Rot. Bonds3

About (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine

(1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine (PubChem CID 24884666) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine.

Molecular Properties

Compound Name(1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine
PubChem CID24884666
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine
SMILESc1ccc(CN[C@@H]2CCC[C@H]3OCc4ccccc4[C@@H]23)cc1
InChIInChI=1S/C20H23NO/c1-2-7-15(8-3-1)13-21-18-11-6-12-19-20(18)17-10-5-4-9-16(17)14-22-19/h1-5,7-10,18-21H,6,11-14H2/t18-,19-,20+/m1/s1
InChIKeyXPYISFYVVBTBOG-AQNXPRMDSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine with MolForge

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Related Compounds

2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylethanamine
CID 11824300
(R)-3-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperidin-1-yl)methyl)-1,2,3,4-tetrahydroisoquinoline
CID 44445011
(S)-3-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperidin-1-yl)methyl)-1,2,3,4-tetrahydroisoquinoline
CID 44445012
(R)-N-benzyl-2-(2,2-diphenyl-1,3-dioxan-4-yl)ethanamine
CID 54581355
N-benzyl-2-(6,6-diphenyl-1,4-dioxan-2-yl)ethanamine
CID 122195263
N-benzyl-2-(5,5-diphenyl-1,4-dioxan-2-yl)ethanamine
CID 122195267
N-benzylspiro[3,4-dihydroisochromene-1,4'-cyclohexane]-1'-amine
CID 155534365
(1R,1'S)-N-(cyclohexylmethyl)spiro[3,4-dihydroisochromene-1,3'-cyclohexane]-1'-amine
CID 162659961
(1R,1'S)-N-benzyl-N-methylspiro[3,4-dihydroisochromene-1,3'-cyclohexane]-1'-amine
CID 162664817
(1R,1'S)-N-benzylspiro[3,4-dihydroisochromene-1,3'-cyclohexane]-1'-amine
CID 162674594
N-benzyl-2-[(2R,6S)-6-phenyloxan-2-yl]ethanamine
CID 164612462
N-benzyl-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine
CID 164614355

Frequently Asked Questions

What is the IUPAC name of (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine?
The IUPAC name of (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine (CID 24884666) is (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine.
What is the SMILES notation for (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine?
The canonical SMILES for (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine is c1ccc(CN[C@@H]2CCC[C@H]3OCc4ccccc4[C@@H]23)cc1.
What is the InChIKey of (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine?
The InChIKey is XPYISFYVVBTBOG-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-7-15(8-3-1)13-21-18-11-6-12-19-20(18)17-10-5-4-9-16(17)14-22-19/h1-5,7-10,18-21H,6,11-14H2/t18-,19-,20+/m1/s1.
What are the key properties of (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine?
(1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aR,10bS)-N-benzyl-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-1-amine is sourced from PubChem (CID 24884666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).