4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride

C15H22ClNO2 — CID 138805610

IUPAC4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride
SMILESCC(C)CN(Cc1ccc(C(=O)O)cc1)C1CC1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-11(2)9-16(14-7-8-14)10-12-3-5-13(6-4-12)15(17)18;/h3-6,11,14H,7-10H2,1-2H3,(H,17,18);1H
InChIKeySFIDRXHHNRZFTJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.43
Rot. Bonds6

About 4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride

4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride (PubChem CID 138805610) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride
PubChem CID138805610
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride
SMILESCC(C)CN(Cc1ccc(C(=O)O)cc1)C1CC1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-11(2)9-16(14-7-8-14)10-12-3-5-13(6-4-12)15(17)18;/h3-6,11,14H,7-10H2,1-2H3,(H,17,18);1H
InChIKeySFIDRXHHNRZFTJ-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 60733586
5-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-methoxybenzoic acid
CID 65339032
5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 62267649
[4-[[(4-aminocyclohexyl)-(2-methylpropyl)amino]methyl]phenyl]methylphosphonic acid
CID 23884738
N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 105347323
4-[[propan-2-yl-(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 122028804
4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid
CID 20982029
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
CID 55001981
4-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119292306
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
CID 170903356
3-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]benzoic acid
CID 122029039
3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458520

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride?
The IUPAC name of 4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride (CID 138805610) is 4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride?
The canonical SMILES for 4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride is CC(C)CN(Cc1ccc(C(=O)O)cc1)C1CC1.Cl.
What is the InChIKey of 4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride?
The InChIKey is SFIDRXHHNRZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-11(2)9-16(14-7-8-14)10-12-3-5-13(6-4-12)15(17)18;/h3-6,11,14H,7-10H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride?
4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride is sourced from PubChem (CID 138805610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).