N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine

C19H25ClN2O — CID 18933658

IUPACN-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine
SMILESCC(Oc1ccccc1CN(C)C)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O/c1-15(22(4)13-16-9-11-18(20)12-10-16)23-19-8-6-5-7-17(19)14-21(2)3/h5-12,15H,13-14H2,1-4H3
InChIKeyLTFZKHYOZNZSQL-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.26
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine

N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine (PubChem CID 18933658) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine
PubChem CID18933658
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine
SMILESCC(Oc1ccccc1CN(C)C)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN2O/c1-15(22(4)13-16-9-11-18(20)12-10-16)23-19-8-6-5-7-17(19)14-21(2)3/h5-12,15H,13-14H2,1-4H3
InChIKeyLTFZKHYOZNZSQL-UHFFFAOYSA-N
XLogP4.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine (CID 18933658) is N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine is CC(Oc1ccccc1CN(C)C)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine?
The InChIKey is LTFZKHYOZNZSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-15(22(4)13-16-9-11-18(20)12-10-16)23-19-8-6-5-7-17(19)14-21(2)3/h5-12,15H,13-14H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine?
N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine has a molecular weight of 332.88 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine is sourced from PubChem (CID 18933658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).