(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C22H28FN — CID 10426492

IUPAC(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@@H]1CCc2cccc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C22H28FN/c1-3-14-24(15-4-2)20-13-10-17-6-5-7-21(22(17)16-20)18-8-11-19(23)12-9-18/h5-9,11-12,20H,3-4,10,13-16H2,1-2H3/t20-/m1/s1
InChIKeyMMTFJKSLSPGPQX-HXUWFJFHSA-N
MW325.47 g/mol
LogP5.47
Rot. Bonds6

About (2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10426492) has the molecular formula C22H28FN and a molecular weight of 325.47 g/mol. Its IUPAC name is (2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10426492
Molecular FormulaC22H28FN
Molecular Weight325.47 g/mol
Exact Mass325.22
IUPAC Name(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@@H]1CCc2cccc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C22H28FN/c1-3-14-24(15-4-2)20-13-10-17-6-5-7-21(22(17)16-20)18-8-11-19(23)12-9-18/h5-9,11-12,20H,3-4,10,13-16H2,1-2H3/t20-/m1/s1
InChIKeyMMTFJKSLSPGPQX-HXUWFJFHSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.47
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dipropyl-8-(1,3,5-triazin-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23373523
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
N,N-dipropyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15908435
8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10267605
8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67690523
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 15230497
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate
CID 10022617
N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine
CID 74044271
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]pentan-1-one
CID 10087077
(NE)-N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]butylidene]hydroxylamine
CID 139908769

Frequently Asked Questions

What is the IUPAC name of (2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10426492) is (2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)[C@@H]1CCc2cccc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of (2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MMTFJKSLSPGPQX-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28FN/c1-3-14-24(15-4-2)20-13-10-17-6-5-7-21(22(17)16-20)18-8-11-19(23)12-9-18/h5-9,11-12,20H,3-4,10,13-16H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 325.47 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-(4-fluorophenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10426492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).