2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid

C14H20ClNO2 — CID 62270705

IUPAC2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(C)Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C14H20ClNO2/c1-4-14(2,13(17)18)10-16(3)9-11-7-5-6-8-12(11)15/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyCKWFIAALXIEOFD-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.27
Rot. Bonds6

About 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid

2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid (PubChem CID 62270705) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid
PubChem CID62270705
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(C)Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C14H20ClNO2/c1-4-14(2,13(17)18)10-16(3)9-11-7-5-6-8-12(11)15/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyCKWFIAALXIEOFD-UHFFFAOYSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
CID 55098471
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine
CID 55056456
2-[[ethyl(methyl)amino]methyl]-2-methylbutanoic acid
CID 62272487
N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
CID 112790320
3-[[(2-chlorophenyl)methyl-methylamino]methyl]-4-fluorobenzoic acid
CID 63074911
4-[(2-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82777064
3-[(2-chlorophenyl)methyl-methylamino]-2-phenylpropanoic acid
CID 63075087
N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63493774

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid (CID 62270705) is 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid is CCC(C)(CN(C)Cc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid?
The InChIKey is CKWFIAALXIEOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-14(2,13(17)18)10-16(3)9-11-7-5-6-8-12(11)15/h5-8H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid?
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid has a molecular weight of 269.77 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 62270705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).