[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride

C15H25ClN2O2 — CID 117069146

IUPAC[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
SMILESCCN(CC)C(=O)Oc1cccc(C(C)N(C)C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-6-17(7-2)15(18)19-14-10-8-9-13(11-14)12(3)16(4)5;/h8-12H,6-7H2,1-5H3;1H
InChIKeyRSSDKTPFRDCJKR-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.57
Rot. Bonds5

About [3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride

[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride (PubChem CID 117069146) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is [3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride.

Molecular Properties

Compound Name[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
PubChem CID117069146
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
SMILESCCN(CC)C(=O)Oc1cccc(C(C)N(C)C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-6-17(7-2)15(18)19-14-10-8-9-13(11-14)12(3)16(4)5;/h8-12H,6-7H2,1-5H3;1H
InChIKeyRSSDKTPFRDCJKR-UHFFFAOYSA-N
XLogP3.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
CID 23160019
[3-[(1S)-1-[methyl(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate;hydrochloride
CID 171391643
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-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N,N-bis(trideuteriomethyl)carbamate
CID 169437716
[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate
CID 74428300
[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
(3-formylphenyl) N,N-diethylcarbamate
CID 46832010
[3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate
CID 97103071
[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate
CID 102099488

Frequently Asked Questions

What is the IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride?
The IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride (CID 117069146) is [3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride.
What is the SMILES notation for [3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride?
The canonical SMILES for [3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride is CCN(CC)C(=O)Oc1cccc(C(C)N(C)C)c1.Cl.
What is the InChIKey of [3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride?
The InChIKey is RSSDKTPFRDCJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-6-17(7-2)15(18)19-14-10-8-9-13(11-14)12(3)16(4)5;/h8-12H,6-7H2,1-5H3;1H.
What are the key properties of [3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride?
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 3.57, 5 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,N-diethylcarbamate;hydrochloride is sourced from PubChem (CID 117069146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).