N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine

C15H18N2O — CID 116954329

IUPACN,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
SMILESCNC(NC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H18N2O/c1-16-15(17-2)12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11,15-17H,1-2H3
InChIKeyJZIAHBZAGKFZFD-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.92
Rot. Bonds5

About N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine

N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine (PubChem CID 116954329) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
PubChem CID116954329
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
SMILESCNC(NC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H18N2O/c1-16-15(17-2)12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11,15-17H,1-2H3
InChIKeyJZIAHBZAGKFZFD-UHFFFAOYSA-N
XLogP2.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
N,N',N'-trimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116909235
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43482181
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
3-(methylamino)-2-(4-phenoxyphenyl)propan-1-ol
CID 116835477
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
2-(4-phenoxyphenyl)propanoic acid
CID 527817

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine?
The IUPAC name of N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine (CID 116954329) is N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine.
What is the SMILES notation for N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine?
The canonical SMILES for N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine is CNC(NC)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine?
The InChIKey is JZIAHBZAGKFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-16-15(17-2)12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11,15-17H,1-2H3.
What are the key properties of N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine?
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine has a molecular weight of 242.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine is sourced from PubChem (CID 116954329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).