1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine

C25H27NO — CID 71187595

IUPAC1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine
SMILESCOc1ccc(CNCc2ccc3c(c2)[C@H](c2ccccc2)[C@@H](C)C3)cc1
InChIInChI=1S/C25H27NO/c1-18-14-22-11-8-20(15-24(22)25(18)21-6-4-3-5-7-21)17-26-16-19-9-12-23(27-2)13-10-19/h3-13,15,18,25-26H,14,16-17H2,1-2H3/t18-,25-/m0/s1
InChIKeyWQMWFUVOYIFATA-BVZFJXPGSA-N
MW357.50 g/mol
LogP5.31
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine

1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine (PubChem CID 71187595) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine
PubChem CID71187595
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine
SMILESCOc1ccc(CNCc2ccc3c(c2)[C@H](c2ccccc2)[C@@H](C)C3)cc1
InChIInChI=1S/C25H27NO/c1-18-14-22-11-8-20(15-24(22)25(18)21-6-4-3-5-7-21)17-26-16-19-9-12-23(27-2)13-10-19/h3-13,15,18,25-26H,14,16-17H2,1-2H3/t18-,25-/m0/s1
InChIKeyWQMWFUVOYIFATA-BVZFJXPGSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine with MolForge

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid
CID 17367818
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate
CID 10567004
1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride
CID 70167234
2-methoxy-4-[[(4-methoxyphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 84754579
N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 57119398

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine (CID 71187595) is 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine is COc1ccc(CNCc2ccc3c(c2)[C@H](c2ccccc2)[C@@H](C)C3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine?
The InChIKey is WQMWFUVOYIFATA-BVZFJXPGSA-N. The full InChI is InChI=1S/C25H27NO/c1-18-14-22-11-8-20(15-24(22)25(18)21-6-4-3-5-7-21)17-26-16-19-9-12-23(27-2)13-10-19/h3-13,15,18,25-26H,14,16-17H2,1-2H3/t18-,25-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine?
1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine has a molecular weight of 357.50 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[[(2S,3S)-2-methyl-3-phenyl-2,3-dihydro-1H-inden-5-yl]methyl]methanamine is sourced from PubChem (CID 71187595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).