N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine

C15H18N2O — CID 115225870

IUPACN'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine
SMILESCN(CN)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H18N2O/c1-17(12-16)11-13-7-9-15(10-8-13)18-14-5-3-2-4-6-14/h2-10H,11-12,16H2,1H3
InChIKeyDPZHGPJZVWPEJN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.83
Rot. Bonds5

About N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine

N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine (PubChem CID 115225870) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine.

Molecular Properties

Compound NameN'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine
PubChem CID115225870
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine
SMILESCN(CN)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H18N2O/c1-17(12-16)11-13-7-9-15(10-8-13)18-14-5-3-2-4-6-14/h2-10H,11-12,16H2,1H3
InChIKeyDPZHGPJZVWPEJN-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
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

N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54074832
2-[methyl-[(4-phenoxyphenyl)methyl]amino]acetonitrile
CID 115131082
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806685
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
CID 57267401
[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934561
(2R)-2-hydroxy-N-methyl-N-[(4-phenoxyphenyl)methyl]propanamide
CID 70764862
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine
CID 95464223
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N,4-dimethyl-N-[2-[methyl-[(4-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
CID 155523974

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine?
The IUPAC name of N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine (CID 115225870) is N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine.
What is the SMILES notation for N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine?
The canonical SMILES for N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine is CN(CN)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine?
The InChIKey is DPZHGPJZVWPEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(12-16)11-13-7-9-15(10-8-13)18-14-5-3-2-4-6-14/h2-10H,11-12,16H2,1H3.
What are the key properties of N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine?
N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine has a molecular weight of 242.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine is sourced from PubChem (CID 115225870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).