[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron

C14H23N2O2+ — CID 23160019

IUPAC[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
SMILESCCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1.[H+]
InChIInChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/p+1
InChIKeyXSVMFMHYUFZWBK-UHFFFAOYSA-O
MW251.35 g/mol
LogP2.87
Rot. Bonds4

About [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron

[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron (PubChem CID 23160019) has the molecular formula C14H23N2O2+ and a molecular weight of 251.35 g/mol. Its IUPAC name is [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron.

Molecular Properties

Compound Name[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
PubChem CID23160019
Molecular FormulaC14H23N2O2+
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
SMILESCCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1.[H+]
InChIInChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/p+1
InChIKeyXSVMFMHYUFZWBK-UHFFFAOYSA-O
XLogP2.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxybutanedioic acid;[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 14254240
[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 10777494
[3-[(1S)-1-[methyl(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate;hydrochloride
CID 171391643
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N,N-bis(trideuteriomethyl)carbamate
CID 169437716
2-[1-[3-[ethyl(methyl)carbamoyl]oxyphenyl]ethoxycarbonyl]benzoic acid
CID 146474491
[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate
CID 74428300
(3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate
CID 59994554
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate
CID 25175645
[3-[1-(dimethylamino)ethyl]phenyl] N-(1-phenylpropan-2-yl)-N-prop-2-ynylcarbamate
CID 72806893
[3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate
CID 23037475

Frequently Asked Questions

What is the IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron?
The IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron (CID 23160019) is [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron.
What is the SMILES notation for [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron?
The canonical SMILES for [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron is CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1.[H+].
What is the InChIKey of [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron?
The InChIKey is XSVMFMHYUFZWBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/p+1.
What are the key properties of [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron?
[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron has a molecular weight of 251.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron is sourced from PubChem (CID 23160019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).