(1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine

C19H23NO — CID 175981821

IUPAC(1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine
SMILESCOc1cccc2c1C(CC[C@@H](N)c1ccccc1)CC2
InChIInChI=1S/C19H23NO/c1-21-18-9-5-8-15-10-11-16(19(15)18)12-13-17(20)14-6-3-2-4-7-14/h2-9,16-17H,10-13,20H2,1H3/t16?,17-/m1/s1
InChIKeyPDKZFBWNFXBKHT-ZYMOGRSISA-N
MW281.40 g/mol
LogP4.21
Rot. Bonds5

About (1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine

(1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine (PubChem CID 175981821) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine
PubChem CID175981821
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine
SMILESCOc1cccc2c1C(CC[C@@H](N)c1ccccc1)CC2
InChIInChI=1S/C19H23NO/c1-21-18-9-5-8-15-10-11-16(19(15)18)12-13-17(20)14-6-3-2-4-7-14/h2-9,16-17H,10-13,20H2,1H3/t16?,17-/m1/s1
InChIKeyPDKZFBWNFXBKHT-ZYMOGRSISA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-methoxy-2-[(1S)-1-phenylethyl]-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 67855960
9-methoxy-2-[(1S)-1-phenylethyl]-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole;hydrochloride
CID 67855959
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
(2-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 23364201
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 105458034
3-[(2-methoxyphenyl)methoxy]-1-phenylpropan-1-amine
CID 57274569
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
(2aR,8bR)-8-methoxy-2-prop-2-enyl-2a,3,4,8b-tetrahydro-1H-naphtho[2,1-b]azete
CID 10059714
3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine
CID 64502784
2-[(3aS,9bS)-9-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]acetonitrile
CID 22869353
1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine
CID 105443737

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine?
The IUPAC name of (1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine (CID 175981821) is (1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for (1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine?
The canonical SMILES for (1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine is COc1cccc2c1C(CC[C@@H](N)c1ccccc1)CC2.
What is the InChIKey of (1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine?
The InChIKey is PDKZFBWNFXBKHT-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H23NO/c1-21-18-9-5-8-15-10-11-16(19(15)18)12-13-17(20)14-6-3-2-4-7-14/h2-9,16-17H,10-13,20H2,1H3/t16?,17-/m1/s1.
What are the key properties of (1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine?
(1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 175981821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).