(1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol

C22H27N3O2 — CID 124850799

IUPAC(1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol
SMILESCOCCN(C)c1ccc(CNC[C@H](O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C22H27N3O2/c1-25(11-12-27-2)22-10-7-17(15-24-22)14-23-16-21(26)20-9-8-18-5-3-4-6-19(18)13-20/h3-10,13,15,21,23,26H,11-12,14,16H2,1-2H3/t21-/m0/s1
InChIKeyRCIYDWRUTBSYOF-NRFANRHFSA-N
MW365.48 g/mol
LogP3.14
Rot. Bonds9

About (1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol

(1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol (PubChem CID 124850799) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol
PubChem CID124850799
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol
SMILESCOCCN(C)c1ccc(CNC[C@H](O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C22H27N3O2/c1-25(11-12-27-2)22-10-7-17(15-24-22)14-23-16-21(26)20-9-8-18-5-3-4-6-19(18)13-20/h3-10,13,15,21,23,26H,11-12,14,16H2,1-2H3/t21-/m0/s1
InChIKeyRCIYDWRUTBSYOF-NRFANRHFSA-N
XLogP3.14
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81057672
1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol
CID 119047886
2-(2-methoxyethoxyamino)-1-naphthalen-2-ylethanol
CID 82723004
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
CID 106246545
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 81056741
5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 119047908
N-(2-methoxyethyl)-N-methyl-5-[[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]methyl]pyridin-2-amine
CID 124726400

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol?
The IUPAC name of (1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol (CID 124850799) is (1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for (1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol?
The canonical SMILES for (1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol is COCCN(C)c1ccc(CNC[C@H](O)c2ccc3ccccc3c2)cn1.
What is the InChIKey of (1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol?
The InChIKey is RCIYDWRUTBSYOF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25(11-12-27-2)22-10-7-17(15-24-22)14-23-16-21(26)20-9-8-18-5-3-4-6-19(18)13-20/h3-10,13,15,21,23,26H,11-12,14,16H2,1-2H3/t21-/m0/s1.
What are the key properties of (1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol?
(1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol has a molecular weight of 365.48 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 124850799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).