(1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine

C16H17NO — CID 93419712

IUPAC(1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1OCc1ccccc1
InChIInChI=1S/C16H17NO/c17-16-14-9-5-4-8-13(14)10-15(16)18-11-12-6-2-1-3-7-12/h1-9,15-16H,10-11,17H2/t15-,16+/m1/s1
InChIKeyYGWPEXJERYSSTM-CVEARBPZSA-N
MW239.32 g/mol
LogP2.83
Rot. Bonds3

About (1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine

(1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 93419712) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID93419712
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1OCc1ccccc1
InChIInChI=1S/C16H17NO/c17-16-14-9-5-4-8-13(14)10-15(16)18-11-12-6-2-1-3-7-12/h1-9,15-16H,10-11,17H2/t15-,16+/m1/s1
InChIKeyYGWPEXJERYSSTM-CVEARBPZSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine
CID 146597119
(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine
CID 151204534
(1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 174048033
(1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene
CID 155468560
(1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine
CID 175792010
(1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine
CID 155468615
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine
CID 43127698
3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678
2-naphthalen-1-yloxy-2,3-dihydro-1H-inden-1-amine
CID 43100876
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine (CID 93419712) is (1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine is N[C@H]1c2ccccc2C[C@H]1OCc1ccccc1.
What is the InChIKey of (1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YGWPEXJERYSSTM-CVEARBPZSA-N. The full InChI is InChI=1S/C16H17NO/c17-16-14-9-5-4-8-13(14)10-15(16)18-11-12-6-2-1-3-7-12/h1-9,15-16H,10-11,17H2/t15-,16+/m1/s1.
What are the key properties of (1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
(1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 93419712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).