N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine

C13H22N2O — CID 115202913

IUPACN'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
SMILESCOc1ccc(NCCC(C)CN)cc1C
InChIInChI=1S/C13H22N2O/c1-10(9-14)6-7-15-12-4-5-13(16-3)11(2)8-12/h4-5,8,10,15H,6-7,9,14H2,1-3H3
InChIKeyQOPYXEJKLQNWQU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.40
Rot. Bonds6

About N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine

N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine (PubChem CID 115202913) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
PubChem CID115202913
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
SMILESCOc1ccc(NCCC(C)CN)cc1C
InChIInChI=1S/C13H22N2O/c1-10(9-14)6-7-15-12-4-5-13(16-3)11(2)8-12/h4-5,8,10,15H,6-7,9,14H2,1-3H3
InChIKeyQOPYXEJKLQNWQU-UHFFFAOYSA-N
XLogP2.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
N-[2-ethyl-4-(4-methoxy-3-methylanilino)butyl]formamide
CID 143532174
2-methyl-4-N-(3-methylpentyl)benzene-1,4-diamine
CID 57089963
2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131601
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
N-(3-fluoro-4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 115202281
methyl 3-[(4-amino-3-methylbutyl)amino]benzoate
CID 114987360
4-methoxy-3-methyl-N-prop-2-enylaniline
CID 62140319
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
N-(3,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987378
2-amino-3-(4-methoxy-3-methylanilino)propanamide
CID 103243682

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine (CID 115202913) is N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine is COc1ccc(NCCC(C)CN)cc1C.
What is the InChIKey of N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine?
The InChIKey is QOPYXEJKLQNWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(9-14)6-7-15-12-4-5-13(16-3)11(2)8-12/h4-5,8,10,15H,6-7,9,14H2,1-3H3.
What are the key properties of N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine?
N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 115202913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).