(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

C20H24ClN2O+ — CID 9058009

IUPAC(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
SMILESC[NH+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O/c1-23(13-16-8-3-5-11-18(16)21)14-20(24)22-19-12-6-9-15-7-2-4-10-17(15)19/h2-5,7-8,10-11,19H,6,9,12-14H2,1H3,(H,22,24)/p+1/t19-/m0/s1
InChIKeyOYFDSLBJSJYHSK-IBGZPJMESA-O
MW343.88 g/mol
LogP2.55
Rot. Bonds5

About (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (PubChem CID 9058009) has the molecular formula C20H24ClN2O+ and a molecular weight of 343.88 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
PubChem CID9058009
Molecular FormulaC20H24ClN2O+
Molecular Weight343.88 g/mol
Exact Mass343.16
IUPAC Name(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
SMILESC[NH+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O/c1-23(13-16-8-3-5-11-18(16)21)14-20(24)22-19-12-6-9-15-7-2-4-10-17(15)19/h2-5,7-8,10-11,19H,6,9,12-14H2,1H3,(H,22,24)/p+1/t19-/m0/s1
InChIKeyOYFDSLBJSJYHSK-IBGZPJMESA-O
XLogP2.55
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium
CID 9296476
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9295679
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9049425
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8805450
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8961887
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 2532930
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9166290
2-(2,6-dichlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543502
2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 11703484
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (CID 9058009) is (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is C[NH+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The InChIKey is OYFDSLBJSJYHSK-IBGZPJMESA-O. The full InChI is InChI=1S/C20H23ClN2O/c1-23(13-16-8-3-5-11-18(16)21)14-20(24)22-19-12-6-9-15-7-2-4-10-17(15)19/h2-5,7-8,10-11,19H,6,9,12-14H2,1H3,(H,22,24)/p+1/t19-/m0/s1.
What are the key properties of (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium has a molecular weight of 343.88 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is sourced from PubChem (CID 9058009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).