4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline

C15H17NO — CID 132549662

IUPAC4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline
SMILES[2H]C(Oc1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C15H17NO/c1-16(2)14-8-10-15(11-9-14)17-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/i12D
InChIKeyDFXQXCWSSGHJBG-UQBWLURTSA-N
MW228.31 g/mol
LogP3.33
Rot. Bonds4

About 4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline

4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline (PubChem CID 132549662) has the molecular formula C15H17NO and a molecular weight of 228.31 g/mol. Its IUPAC name is 4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline
PubChem CID132549662
Molecular FormulaC15H17NO
Molecular Weight228.31 g/mol
Exact Mass228.14
IUPAC Name4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline
SMILES[2H]C(Oc1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C15H17NO/c1-16(2)14-8-10-15(11-9-14)17-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/i12D
InChIKeyDFXQXCWSSGHJBG-UQBWLURTSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
4-ethoxy-N,N-dimethylaniline
CID 3624890
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
4-[5-[4-(dimethylamino)phenoxy]pentoxy]-N,N-dimethylaniline;dihydrochloride
CID 135564251
N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 24843292
N,N-dimethylaniline
CID 70392672
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
4-[2-[4-(dimethylamino)phenyl]ethoxy]benzoic acid
CID 66812492
N,N-dimethylaniline;phenylmethanamine
CID 159620878
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
CID 79588899

Frequently Asked Questions

What is the IUPAC name of 4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline?
The IUPAC name of 4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline (CID 132549662) is 4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline.
What is the SMILES notation for 4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline?
The canonical SMILES for 4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline is [2H]C(Oc1ccc(N(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline?
The InChIKey is DFXQXCWSSGHJBG-UQBWLURTSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(2)14-8-10-15(11-9-14)17-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/i12D.
What are the key properties of 4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline?
4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline has a molecular weight of 228.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[deuterio(phenyl)methoxy]-N,N-dimethylaniline is sourced from PubChem (CID 132549662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).