2-[[2-(methoxymethyl)anilino]methyl]aniline

C15H18N2O — CID 66385053

IUPAC2-[[2-(methoxymethyl)anilino]methyl]aniline
SMILESCOCc1ccccc1NCc1ccccc1N
InChIInChI=1S/C15H18N2O/c1-18-11-13-7-3-5-9-15(13)17-10-12-6-2-4-8-14(12)16/h2-9,17H,10-11,16H2,1H3
InChIKeyNQTMQERLPBHIAG-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.03
Rot. Bonds5

About 2-[[2-(methoxymethyl)anilino]methyl]aniline

2-[[2-(methoxymethyl)anilino]methyl]aniline (PubChem CID 66385053) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)anilino]methyl]aniline.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)anilino]methyl]aniline
PubChem CID66385053
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[[2-(methoxymethyl)anilino]methyl]aniline
SMILESCOCc1ccccc1NCc1ccccc1N
InChIInChI=1S/C15H18N2O/c1-18-11-13-7-3-5-9-15(13)17-10-12-6-2-4-8-14(12)16/h2-9,17H,10-11,16H2,1H3
InChIKeyNQTMQERLPBHIAG-UHFFFAOYSA-N
XLogP3.03
TPSA47.28 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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Carbamic acid, (2-methylphenyl)-, phenylmethyl ester
CID 895304
10-Methoxyiminostilbene
CID 78424
(2-(Methylamino)phenyl)methanol
CID 295953
2-(((2-Aminophenyl)methoxy)methyl)aniline
CID 12618671
[2-(Phenylamino)phenyl]methanol
CID 12682595
1,4-Dihydrospiro[3,1-benzoxazine-2,1'-cyclohexane]
CID 934977
3-(Dimethylamino)-1-phenylpropyl hydrogen phenylcarbonimidate--hydrogen chloride (1/1)
CID 52622
2,2-Dimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazine
CID 14025914
1'-Benzyl-1,4-dihydrospiro[3,1-benzoxazine-2,4'-piperidine]
CID 941932
benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 683902
4-Ethoxy-3,3-dimethyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 2892952
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
CID 10977238

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)anilino]methyl]aniline?
The IUPAC name of 2-[[2-(methoxymethyl)anilino]methyl]aniline (CID 66385053) is 2-[[2-(methoxymethyl)anilino]methyl]aniline.
What is the SMILES notation for 2-[[2-(methoxymethyl)anilino]methyl]aniline?
The canonical SMILES for 2-[[2-(methoxymethyl)anilino]methyl]aniline is COCc1ccccc1NCc1ccccc1N.
What is the InChIKey of 2-[[2-(methoxymethyl)anilino]methyl]aniline?
The InChIKey is NQTMQERLPBHIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-11-13-7-3-5-9-15(13)17-10-12-6-2-4-8-14(12)16/h2-9,17H,10-11,16H2,1H3.
What are the key properties of 2-[[2-(methoxymethyl)anilino]methyl]aniline?
2-[[2-(methoxymethyl)anilino]methyl]aniline has a molecular weight of 242.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)anilino]methyl]aniline is sourced from PubChem (CID 66385053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).