[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid

C12H18N2O2 — CID 170154871

IUPAC[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
SMILESCN(C)Cc1ccc(CN(C)C(=O)O)cc1
InChIInChI=1S/C12H18N2O2/c1-13(2)8-10-4-6-11(7-5-10)9-14(3)12(15)16/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyGBSXDSBVTYLCHC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.86
Rot. Bonds4

About [4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid

[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid (PubChem CID 170154871) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
PubChem CID170154871
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
SMILESCN(C)Cc1ccc(CN(C)C(=O)O)cc1
InChIInChI=1S/C12H18N2O2/c1-13(2)8-10-4-6-11(7-5-10)9-14(3)12(15)16/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyGBSXDSBVTYLCHC-UHFFFAOYSA-N
XLogP1.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[4-[(dimethylamino)methyl]phenyl]butanoic acid
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3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid
CID 60989210
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid
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2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
[4-[(dimethylamino)methyl]phenyl] acetate
CID 102268693
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
[3-fluoro-4-(hydroxyiminomethyl)phenyl]methyl-methylcarbamic acid
CID 87415746
[4-[(dimethylamino)methyl]phenyl]-phenylmethanone;prop-2-enoic acid;hydrochloride
CID 175497028
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid (CID 170154871) is [4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid is CN(C)Cc1ccc(CN(C)C(=O)O)cc1.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid?
The InChIKey is GBSXDSBVTYLCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13(2)8-10-4-6-11(7-5-10)9-14(3)12(15)16/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of [4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid?
[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid has a molecular weight of 222.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid is sourced from PubChem (CID 170154871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).