1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine

C18H23NO — CID 134926957

IUPAC1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine
SMILESCc1ccc(CNOCc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-13-5-7-17(9-15(13)3)11-19-20-12-18-8-6-14(2)16(4)10-18/h5-10,19H,11-12H2,1-4H3
InChIKeyKONIKSQIVOBWSE-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.14
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine

1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine (PubChem CID 134926957) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine
PubChem CID134926957
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine
SMILESCc1ccc(CNOCc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C18H23NO/c1-13-5-7-17(9-15(13)3)11-19-20-12-18-8-6-14(2)16(4)10-18/h5-10,19H,11-12H2,1-4H3
InChIKeyKONIKSQIVOBWSE-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(Aminomethyl)-3,5-dimethylphenyl]methanol
CID 23383595
Benzeneethanamine, N-(phenylmethoxy)-
CID 14545021
2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261432
(3,4-dihydro-1H-2-benzopyran-6-yl)methanamine
CID 82596473
(4-(Aminomethyl)-2-methylphenyl)methanol hydrochloride
CID 163353558
1-phenyl-N-(1-phenylethoxy)pentan-1-amine
CID 15261429
2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261430
1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine
CID 15261431
N,O-Dibenzylhydroxylamine
CID 11063773
N-Benzoxybenzhydrylamine
CID 15025165
N-Benzoxy-2-naphthalenemethanamine
CID 53308533
N-Benzoxy-1-naphthalenemethanamine
CID 53308547

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine (CID 134926957) is 1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine is Cc1ccc(CNOCc2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine?
The InChIKey is KONIKSQIVOBWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-5-7-17(9-15(13)3)11-19-20-12-18-8-6-14(2)16(4)10-18/h5-10,19H,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine?
1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[(3,4-dimethylphenyl)methoxy]methanamine is sourced from PubChem (CID 134926957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).