1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine

C14H24N2O2 — CID 115200420

IUPAC1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
SMILESCOc1cc(C)c(NCCC(C)(C)N)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-10-8-11(17-4)9-12(18-5)13(10)16-7-6-14(2,3)15/h8-9,16H,6-7,15H2,1-5H3
InChIKeyUDMBONGFMCNWKF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.55
Rot. Bonds6

About 1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine

1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine (PubChem CID 115200420) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
PubChem CID115200420
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
SMILESCOc1cc(C)c(NCCC(C)(C)N)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-10-8-11(17-4)9-12(18-5)13(10)16-7-6-14(2,3)15/h8-9,16H,6-7,15H2,1-5H3
InChIKeyUDMBONGFMCNWKF-UHFFFAOYSA-N
XLogP2.55
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
CID 115243916
2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
CID 115120337
2-(2,4,6-trimethoxyanilino)ethanethiol
CID 115223691
1-N-[(4-methoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200571
2-[(2,4-dimethoxy-6-methylanilino)methyl]butan-1-ol
CID 115250575
4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
CID 116925176
2-methoxy-4,6-dimethyl-N-(2-piperidin-4-ylethyl)aniline
CID 115211539
N-ethyl-4-methoxy-2,6-dimethylaniline
CID 23348858
N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline
CID 115214635
1-N-(2,5-difluoro-4-methoxyphenyl)-3-methylbutane-1,3-diamine
CID 115200419
1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245077
4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916392

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine?
The IUPAC name of 1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine (CID 115200420) is 1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine is COc1cc(C)c(NCCC(C)(C)N)c(OC)c1.
What is the InChIKey of 1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine?
The InChIKey is UDMBONGFMCNWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-8-11(17-4)9-12(18-5)13(10)16-7-6-14(2,3)15/h8-9,16H,6-7,15H2,1-5H3.
What are the key properties of 1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine?
1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 115200420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).