(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine

C17H19NO — CID 10562844

IUPAC(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
SMILESCN[C@H]1Cc2ccc(OC)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C17H19NO/c1-18-16-10-13-8-9-14(19-2)11-15(13)17(16)12-6-4-3-5-7-12/h3-9,11,16-18H,10H2,1-2H3/t16-,17-/m0/s1
InChIKeyZCMOCZRTGIFXNP-IRXDYDNUSA-N
MW253.35 g/mol
LogP2.97
Rot. Bonds3

About (1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine

(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 10562844) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
PubChem CID10562844
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
SMILESCN[C@H]1Cc2ccc(OC)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C17H19NO/c1-18-16-10-13-8-9-14(19-2)11-15(13)17(16)12-6-4-3-5-7-12/h3-9,11,16-18H,10H2,1-2H3/t16-,17-/m0/s1
InChIKeyZCMOCZRTGIFXNP-IRXDYDNUSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate
CID 10567004
1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine
CID 71187595
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501
(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 87668394
(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 67652206
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
CID 79370320
1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride
CID 70167234
(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 101139837
3-[(4bR,10R,10aR)-2,8-dimethoxy-5,10,10a,11-tetrahydro-4bH-benzo[b]fluoren-10-yl]phenol
CID 59016543
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
CID 167260146

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of (1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine (CID 10562844) is (1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for (1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine is CN[C@H]1Cc2ccc(OC)cc2[C@@H]1c1ccccc1.
What is the InChIKey of (1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ZCMOCZRTGIFXNP-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-16-10-13-8-9-14(19-2)11-15(13)17(16)12-6-4-3-5-7-12/h3-9,11,16-18H,10H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine?
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 10562844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).