N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid

C16H19NO3 — CID 159920944

IUPACN,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid
SMILESCN(C)Cc1ccccc1.O=C(O)c1ccccc1O
InChIInChI=1S/C9H13N.C7H6O3/c1-10(2)8-9-6-4-3-5-7-9;8-6-4-2-1-3-5(6)7(9)10/h3-7H,8H2,1-2H3;1-4,8H,(H,9,10)
InChIKeyNYJPGPSSHZJODF-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.84
Rot. Bonds3

About N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid

N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid (PubChem CID 159920944) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid
PubChem CID159920944
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid
SMILESCN(C)Cc1ccccc1.O=C(O)c1ccccc1O
InChIInChI=1S/C9H13N.C7H6O3/c1-10(2)8-9-6-4-3-5-7-9;8-6-4-2-1-3-5(6)7(9)10/h3-7H,8H2,1-2H3;1-4,8H,(H,9,10)
InChIKeyNYJPGPSSHZJODF-UHFFFAOYSA-N
XLogP2.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethylmethanamine;2-hydroxybenzoic acid
CID 173188925
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
CID 87183669
CID 87183669
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
2-hydroxybenzoic acid;hydrobromide
CID 70122828
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid (CID 159920944) is N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid is CN(C)Cc1ccccc1.O=C(O)c1ccccc1O.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid?
The InChIKey is NYJPGPSSHZJODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C7H6O3/c1-10(2)8-9-6-4-3-5-7-9;8-6-4-2-1-3-5(6)7(9)10/h3-7H,8H2,1-2H3;1-4,8H,(H,9,10).
What are the key properties of N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid?
N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;2-hydroxybenzoic acid is sourced from PubChem (CID 159920944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).