2-benzhydryloxyacetic acid;N,N-dimethylethanamine

C19H25NO3 — CID 173349968

IUPAC2-benzhydryloxyacetic acid;N,N-dimethylethanamine
SMILESCCN(C)C.O=C(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O3.C4H11N/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-4-5(2)3/h1-10,15H,11H2,(H,16,17);4H2,1-3H3
InChIKeyHMZLIYRQWQGDKN-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.45
Rot. Bonds6

About 2-benzhydryloxyacetic acid;N,N-dimethylethanamine

2-benzhydryloxyacetic acid;N,N-dimethylethanamine (PubChem CID 173349968) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-benzhydryloxyacetic acid;N,N-dimethylethanamine.

Molecular Properties

Compound Name2-benzhydryloxyacetic acid;N,N-dimethylethanamine
PubChem CID173349968
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-benzhydryloxyacetic acid;N,N-dimethylethanamine
SMILESCCN(C)C.O=C(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O3.C4H11N/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-4-5(2)3/h1-10,15H,11H2,(H,16,17);4H2,1-3H3
InChIKeyHMZLIYRQWQGDKN-UHFFFAOYSA-N
XLogP3.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzhydryloxyacetic acid;N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;2-benzhydryloxyacetic acid;propane
CID 173385608
azane;2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]acetic acid;propane;hydrate
CID 173385554
4-[ethoxy(phenyl)methyl]benzoic acid
CID 22745121
2-[4-(1-phenylpropyl)phenoxy]acetic acid
CID 101304213
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
(2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol
CID 2327359
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid
CID 2833951
2-[bis(2-chlorophenyl)methoxy]acetic acid
CID 57126454
(4-methylphenyl)methyl 2-benzhydryloxyacetate
CID 22159799
2-benzhydryloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55359274

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxyacetic acid;N,N-dimethylethanamine?
The IUPAC name of 2-benzhydryloxyacetic acid;N,N-dimethylethanamine (CID 173349968) is 2-benzhydryloxyacetic acid;N,N-dimethylethanamine.
What is the SMILES notation for 2-benzhydryloxyacetic acid;N,N-dimethylethanamine?
The canonical SMILES for 2-benzhydryloxyacetic acid;N,N-dimethylethanamine is CCN(C)C.O=C(O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryloxyacetic acid;N,N-dimethylethanamine?
The InChIKey is HMZLIYRQWQGDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.C4H11N/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-4-5(2)3/h1-10,15H,11H2,(H,16,17);4H2,1-3H3.
What are the key properties of 2-benzhydryloxyacetic acid;N,N-dimethylethanamine?
2-benzhydryloxyacetic acid;N,N-dimethylethanamine has a molecular weight of 315.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxyacetic acid;N,N-dimethylethanamine is sourced from PubChem (CID 173349968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).