[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride

C13H21ClN2O4 — CID 138396991

IUPAC[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride
SMILESCc1ccccc1OCC(O)COC(=O)NCCN.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-10-4-2-3-5-12(10)18-8-11(16)9-19-13(17)15-7-6-14;/h2-5,11,16H,6-9,14H2,1H3,(H,15,17);1H
InChIKeyLBHOBVVXDZSDTM-UHFFFAOYSA-N
MW304.77 g/mol
LogP0.84
Rot. Bonds7

About [2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride

[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride (PubChem CID 138396991) has the molecular formula C13H21ClN2O4 and a molecular weight of 304.77 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride
PubChem CID138396991
Molecular FormulaC13H21ClN2O4
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride
SMILESCc1ccccc1OCC(O)COC(=O)NCCN.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-10-4-2-3-5-12(10)18-8-11(16)9-19-13(17)15-7-6-14;/h2-5,11,16H,6-9,14H2,1H3,(H,15,17);1H
InChIKeyLBHOBVVXDZSDTM-UHFFFAOYSA-N
XLogP0.84
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
CID 43531505
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] nitrate
CID 177494684
CID 164999747
CID 164999747
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride?
The IUPAC name of [2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride (CID 138396991) is [2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride.
What is the SMILES notation for [2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride?
The canonical SMILES for [2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride is Cc1ccccc1OCC(O)COC(=O)NCCN.Cl.
What is the InChIKey of [2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride?
The InChIKey is LBHOBVVXDZSDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4.ClH/c1-10-4-2-3-5-12(10)18-8-11(16)9-19-13(17)15-7-6-14;/h2-5,11,16H,6-9,14H2,1H3,(H,15,17);1H.
What are the key properties of [2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride?
[2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-methylphenoxy)propyl] N-(2-aminoethyl)carbamate;hydrochloride is sourced from PubChem (CID 138396991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).