[4-(2-aminoethyl)-2-methoxyphenyl] carbamate

C10H14N2O3 — CID 173379178

IUPAC[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
SMILESCOc1cc(CCN)ccc1OC(N)=O
InChIInChI=1S/C10H14N2O3/c1-14-9-6-7(4-5-11)2-3-8(9)15-10(12)13/h2-3,6H,4-5,11H2,1H3,(H2,12,13)
InChIKeyWJFJGKOKOXYMGG-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.65
Rot. Bonds4

About [4-(2-aminoethyl)-2-methoxyphenyl] carbamate

[4-(2-aminoethyl)-2-methoxyphenyl] carbamate (PubChem CID 173379178) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is [4-(2-aminoethyl)-2-methoxyphenyl] carbamate.

Molecular Properties

Compound Name[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
PubChem CID173379178
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
SMILESCOc1cc(CCN)ccc1OC(N)=O
InChIInChI=1S/C10H14N2O3/c1-14-9-6-7(4-5-11)2-3-8(9)15-10(12)13/h2-3,6H,4-5,11H2,1H3,(H2,12,13)
InChIKeyWJFJGKOKOXYMGG-UHFFFAOYSA-N
XLogP0.65
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
[4-(2-aminoethyl)-2-methoxyphenyl] benzoate
CID 14622436
2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
CID 54930549
3-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79619998
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine
CID 54765058
2-(3,4-dimethoxyphenyl)ethanamine;2-[1-(sulfanylmethyl)cyclopropyl]acetic acid
CID 46223481
ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
CID 64660568
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)-2-methoxyphenyl] carbamate?
The IUPAC name of [4-(2-aminoethyl)-2-methoxyphenyl] carbamate (CID 173379178) is [4-(2-aminoethyl)-2-methoxyphenyl] carbamate.
What is the SMILES notation for [4-(2-aminoethyl)-2-methoxyphenyl] carbamate?
The canonical SMILES for [4-(2-aminoethyl)-2-methoxyphenyl] carbamate is COc1cc(CCN)ccc1OC(N)=O.
What is the InChIKey of [4-(2-aminoethyl)-2-methoxyphenyl] carbamate?
The InChIKey is WJFJGKOKOXYMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-9-6-7(4-5-11)2-3-8(9)15-10(12)13/h2-3,6H,4-5,11H2,1H3,(H2,12,13).
What are the key properties of [4-(2-aminoethyl)-2-methoxyphenyl] carbamate?
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate has a molecular weight of 210.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)-2-methoxyphenyl] carbamate is sourced from PubChem (CID 173379178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).