4-[(dipropylamino)methyl]benzoic acid;hydrochloride

C14H22ClNO2 — CID 75531543

IUPAC4-[(dipropylamino)methyl]benzoic acid;hydrochloride
SMILESCCCN(CCC)Cc1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-3-9-15(10-4-2)11-12-5-7-13(8-6-12)14(16)17;/h5-8H,3-4,9-11H2,1-2H3,(H,16,17);1H
InChIKeyABAYELHHCSWQRQ-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.43
Rot. Bonds7

About 4-[(dipropylamino)methyl]benzoic acid;hydrochloride

4-[(dipropylamino)methyl]benzoic acid;hydrochloride (PubChem CID 75531543) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]benzoic acid;hydrochloride
PubChem CID75531543
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name4-[(dipropylamino)methyl]benzoic acid;hydrochloride
SMILESCCCN(CCC)Cc1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C14H21NO2.ClH/c1-3-9-15(10-4-2)11-12-5-7-13(8-6-12)14(16)17;/h5-8H,3-4,9-11H2,1-2H3,(H,16,17);1H
InChIKeyABAYELHHCSWQRQ-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-carboxypropyl(propyl)amino]methyl]benzoic acid
CID 59265022
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
4-[(dipropylamino)methyl]benzoyl chloride
CID 15662524
4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid
CID 61195847
4-[[bis(carboxymethyl)amino]methyl]benzoic acid
CID 129396565
4-bromo-3-[(dipropylamino)methyl]benzoic acid
CID 165452109
4-[(dipropylamino)methoxy]benzoic acid
CID 20993709
ethane;4-propylbenzoic acid
CID 91047964
4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide
CID 79662080
4-[[[ethyl(propyl)carbamoyl]-methylamino]methyl]benzoic acid
CID 61194167
2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone
CID 50985068
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783

Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]benzoic acid;hydrochloride?
The IUPAC name of 4-[(dipropylamino)methyl]benzoic acid;hydrochloride (CID 75531543) is 4-[(dipropylamino)methyl]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[(dipropylamino)methyl]benzoic acid;hydrochloride?
The canonical SMILES for 4-[(dipropylamino)methyl]benzoic acid;hydrochloride is CCCN(CCC)Cc1ccc(C(=O)O)cc1.Cl.
What is the InChIKey of 4-[(dipropylamino)methyl]benzoic acid;hydrochloride?
The InChIKey is ABAYELHHCSWQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.ClH/c1-3-9-15(10-4-2)11-12-5-7-13(8-6-12)14(16)17;/h5-8H,3-4,9-11H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-[(dipropylamino)methyl]benzoic acid;hydrochloride?
4-[(dipropylamino)methyl]benzoic acid;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]benzoic acid;hydrochloride is sourced from PubChem (CID 75531543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).