carbamic acid;2,3-diethylphenol;methanamine

C12H22N2O3 — CID 174684713

IUPACcarbamic acid;2,3-diethylphenol;methanamine
SMILESCCc1cccc(O)c1CC.CN.NC(=O)O
InChIInChI=1S/C10H14O.CH3NO2.CH5N/c1-3-8-6-5-7-10(11)9(8)4-2;2-1(3)4;1-2/h5-7,11H,3-4H2,1-2H3;2H2,(H,3,4);2H2,1H3
InChIKeyQCPCMGDRODMUIM-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.72
Rot. Bonds2

About carbamic acid;2,3-diethylphenol;methanamine

carbamic acid;2,3-diethylphenol;methanamine (PubChem CID 174684713) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is carbamic acid;2,3-diethylphenol;methanamine.

Molecular Properties

Compound Namecarbamic acid;2,3-diethylphenol;methanamine
PubChem CID174684713
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namecarbamic acid;2,3-diethylphenol;methanamine
SMILESCCc1cccc(O)c1CC.CN.NC(=O)O
InChIInChI=1S/C10H14O.CH3NO2.CH5N/c1-3-8-6-5-7-10(11)9(8)4-2;2-1(3)4;1-2/h5-7,11H,3-4H2,1-2H3;2H2,(H,3,4);2H2,1H3
InChIKeyQCPCMGDRODMUIM-UHFFFAOYSA-N
XLogP1.72
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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1-chloro-3-(2-ethyl-3-hydroxyphenyl)propan-2-one
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2,3-bis[(2,3,4-triethylphenyl)methyl]phenol
CID 67181329
2-ethylphenol;formaldehyde;urea
CID 162140280
bis(2-ethyl-3-hydroxyphenyl)methanone
CID 154331637
benzene;2-ethylphenol
CID 159726745
2-(3-amino-2-ethylphenyl)acetic acid
CID 91873822
3-ethyl-2-(2-ethyl-3-hydroxyphenyl)phenol
CID 101302719
2-ethyl-3-(3-hydroxypropyl)phenol
CID 123721152
2-(2,3-diethylphenyl)-3-ethylphenol
CID 101302469
3-ethyl-2-(phenoxymethyl)phenol
CID 174805070

Frequently Asked Questions

What is the IUPAC name of carbamic acid;2,3-diethylphenol;methanamine?
The IUPAC name of carbamic acid;2,3-diethylphenol;methanamine (CID 174684713) is carbamic acid;2,3-diethylphenol;methanamine.
What is the SMILES notation for carbamic acid;2,3-diethylphenol;methanamine?
The canonical SMILES for carbamic acid;2,3-diethylphenol;methanamine is CCc1cccc(O)c1CC.CN.NC(=O)O.
What is the InChIKey of carbamic acid;2,3-diethylphenol;methanamine?
The InChIKey is QCPCMGDRODMUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.CH3NO2.CH5N/c1-3-8-6-5-7-10(11)9(8)4-2;2-1(3)4;1-2/h5-7,11H,3-4H2,1-2H3;2H2,(H,3,4);2H2,1H3.
What are the key properties of carbamic acid;2,3-diethylphenol;methanamine?
carbamic acid;2,3-diethylphenol;methanamine has a molecular weight of 242.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2,3-diethylphenol;methanamine is sourced from PubChem (CID 174684713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).