4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine

C22H25N3O2 — CID 163687713

IUPAC4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine
SMILESCOCc1ccc(N)c(NCc2nc(C)ccc2OCc2ccccc2)c1
InChIInChI=1S/C22H25N3O2/c1-16-8-11-22(27-15-17-6-4-3-5-7-17)21(25-16)13-24-20-12-18(14-26-2)9-10-19(20)23/h3-12,24H,13-15,23H2,1-2H3
InChIKeyJQHDMAUEOAIUKO-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.31
Rot. Bonds8

About 4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine

4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine (PubChem CID 163687713) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine
PubChem CID163687713
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine
SMILESCOCc1ccc(N)c(NCc2nc(C)ccc2OCc2ccccc2)c1
InChIInChI=1S/C22H25N3O2/c1-16-8-11-22(27-15-17-6-4-3-5-7-17)21(25-16)13-24-20-12-18(14-26-2)9-10-19(20)23/h3-12,24H,13-15,23H2,1-2H3
InChIKeyJQHDMAUEOAIUKO-UHFFFAOYSA-N
XLogP4.31
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
1-[3-[(4-methoxyphenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79150973
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 82918461
N-[[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151447
N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151507
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157715
N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 79157121
N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79158616
[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158554
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine (CID 163687713) is 4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine is COCc1ccc(N)c(NCc2nc(C)ccc2OCc2ccccc2)c1.
What is the InChIKey of 4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine?
The InChIKey is JQHDMAUEOAIUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-8-11-22(27-15-17-6-4-3-5-7-17)21(25-16)13-24-20-12-18(14-26-2)9-10-19(20)23/h3-12,24H,13-15,23H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine?
4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine has a molecular weight of 363.46 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-N-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 163687713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).