benzoic acid;2-methyl-2-(propylamino)propan-1-ol

C14H23NO3 — CID 23615826

IUPACbenzoic acid;2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(C)CO.O=C(O)c1ccccc1
InChIInChI=1S/C7H17NO.C7H6O2/c1-4-5-8-7(2,3)6-9;8-7(9)6-4-2-1-3-5-6/h8-9H,4-6H2,1-3H3;1-5H,(H,8,9)
InChIKeyOZUSKRGXFXRGCW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds5

About benzoic acid;2-methyl-2-(propylamino)propan-1-ol

benzoic acid;2-methyl-2-(propylamino)propan-1-ol (PubChem CID 23615826) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is benzoic acid;2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Namebenzoic acid;2-methyl-2-(propylamino)propan-1-ol
PubChem CID23615826
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namebenzoic acid;2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(C)CO.O=C(O)c1ccccc1
InChIInChI=1S/C7H17NO.C7H6O2/c1-4-5-8-7(2,3)6-9;8-7(9)6-4-2-1-3-5-6/h8-9H,4-6H2,1-3H3;1-5H,(H,8,9)
InChIKeyOZUSKRGXFXRGCW-UHFFFAOYSA-N
XLogP2.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of benzoic acid;2-methyl-2-(propylamino)propan-1-ol (CID 23615826) is benzoic acid;2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for benzoic acid;2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for benzoic acid;2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(C)CO.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is OZUSKRGXFXRGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C7H6O2/c1-4-5-8-7(2,3)6-9;8-7(9)6-4-2-1-3-5-6/h8-9H,4-6H2,1-3H3;1-5H,(H,8,9).
What are the key properties of benzoic acid;2-methyl-2-(propylamino)propan-1-ol?
benzoic acid;2-methyl-2-(propylamino)propan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 23615826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).