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

C14H24N2O — CID 115202314

IUPACN-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
SMILESCCOc1ccc(NCC(C)CCN)cc1C
InChIInChI=1S/C14H24N2O/c1-4-17-14-6-5-13(9-12(14)3)16-10-11(2)7-8-15/h5-6,9,11,16H,4,7-8,10,15H2,1-3H3
InChIKeyZNWMIWSKTWKQJK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.79
Rot. Bonds7

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

N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine (PubChem CID 115202314) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
PubChem CID115202314
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
SMILESCCOc1ccc(NCC(C)CCN)cc1C
InChIInChI=1S/C14H24N2O/c1-4-17-14-6-5-13(9-12(14)3)16-10-11(2)7-8-15/h5-6,9,11,16H,4,7-8,10,15H2,1-3H3
InChIKeyZNWMIWSKTWKQJK-UHFFFAOYSA-N
XLogP2.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.79
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

4-(4-ethoxy-3-methylanilino)-3-methylbutanoic acid
CID 115219712
N-(3,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987378
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 115204209
N-(3-fluoro-4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 115202281
N'-(3-chloro-4-ethoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198257
N-(2-chloroethyl)-4-ethoxy-3-methylaniline
CID 115214594
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 115195723
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 116924946
methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine (CID 115202314) is N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine is CCOc1ccc(NCC(C)CCN)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine?
The InChIKey is ZNWMIWSKTWKQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-17-14-6-5-13(9-12(14)3)16-10-11(2)7-8-15/h5-6,9,11,16H,4,7-8,10,15H2,1-3H3.
What are the key properties of N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine?
N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 115202314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).