1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine

C21H23ClFN — CID 68926840

IUPAC1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3cc(F)ccc3Cl)ccc2C1
InChIInChI=1S/C21H23ClFN/c1-14-3-2-10-24(14)19-8-6-15-11-17(5-4-16(15)12-19)20-13-18(23)7-9-21(20)22/h4-5,7,9,11,13-14,19H,2-3,6,8,10,12H2,1H3
InChIKeyUUYMOUASZWKKTJ-UHFFFAOYSA-N
MW343.87 g/mol
LogP5.49
Rot. Bonds2

About 1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine

1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (PubChem CID 68926840) has the molecular formula C21H23ClFN and a molecular weight of 343.87 g/mol. Its IUPAC name is 1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
PubChem CID68926840
Molecular FormulaC21H23ClFN
Molecular Weight343.87 g/mol
Exact Mass343.15
IUPAC Name1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3cc(F)ccc3Cl)ccc2C1
InChIInChI=1S/C21H23ClFN/c1-14-3-2-10-24(14)19-8-6-15-11-17(5-4-16(15)12-19)20-13-18(23)7-9-21(20)22/h4-5,7,9,11,13-14,19H,2-3,6,8,10,12H2,1H3
InChIKeyUUYMOUASZWKKTJ-UHFFFAOYSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.87
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-5-(2-chlorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 156011291
(2S)-5-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 156021386
5-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25125376
4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 42601566
4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 42601569
5-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118524962
1-[5-(2-Fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 156016856
(2S,4R)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729249
(2R,4S)-4-(4-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729250
(2S,4R)-4-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729263
(2R,4S)-4-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729265
(2R,4R)-4-(2-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729277

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The IUPAC name of 1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine (CID 68926840) is 1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The canonical SMILES for 1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is CC1CCCN1C1CCc2cc(-c3cc(F)ccc3Cl)ccc2C1.
What is the InChIKey of 1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
The InChIKey is UUYMOUASZWKKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN/c1-14-3-2-10-24(14)19-8-6-15-11-17(5-4-16(15)12-19)20-13-18(23)7-9-21(20)22/h4-5,7,9,11,13-14,19H,2-3,6,8,10,12H2,1H3.
What are the key properties of 1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine?
1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine has a molecular weight of 343.87 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine is sourced from PubChem (CID 68926840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).