(1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

C22H29ClFNO — CID 11394804

IUPAC(1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCCCN(CCC)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1.Cl
InChIInChI=1S/C22H28FNO.ClH/c1-4-11-24(12-5-2)20-14-17-13-19(23)21(25-3)15-18(17)22(20)16-9-7-6-8-10-16;/h6-10,13,15,20,22H,4-5,11-12,14H2,1-3H3;1H/t20-,22-;/m1./s1
InChIKeySQTWOABAEHRHHZ-BNBNXSKYSA-N
MW377.93 g/mol
LogP5.43
Rot. Bonds7

About (1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

(1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 11394804) has the molecular formula C22H29ClFNO and a molecular weight of 377.93 g/mol. Its IUPAC name is (1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID11394804
Molecular FormulaC22H29ClFNO
Molecular Weight377.93 g/mol
Exact Mass377.19
IUPAC Name(1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCCCN(CCC)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1.Cl
InChIInChI=1S/C22H28FNO.ClH/c1-4-11-24(12-5-2)20-14-17-13-19(23)21(25-3)15-18(17)22(20)16-9-7-6-8-10-16;/h6-10,13,15,20,22H,4-5,11-12,14H2,1-3H3;1H/t20-,22-;/m1./s1
InChIKeySQTWOABAEHRHHZ-BNBNXSKYSA-N
XLogP5.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.93
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of (1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 11394804) is (1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for (1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for (1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is CCCN(CCC)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1.Cl.
What is the InChIKey of (1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is SQTWOABAEHRHHZ-BNBNXSKYSA-N. The full InChI is InChI=1S/C22H28FNO.ClH/c1-4-11-24(12-5-2)20-14-17-13-19(23)21(25-3)15-18(17)22(20)16-9-7-6-8-10-16;/h6-10,13,15,20,22H,4-5,11-12,14H2,1-3H3;1H/t20-,22-;/m1./s1.
What are the key properties of (1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
(1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 377.93 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 11394804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).