1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine

C15H26N2O — CID 116949448

IUPAC1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCCc1cc(C(CCCNC)NC)ccc1OC
InChIInChI=1S/C15H26N2O/c1-5-12-11-13(8-9-15(12)18-4)14(17-3)7-6-10-16-2/h8-9,11,14,16-17H,5-7,10H2,1-4H3
InChIKeyFIIYHTSORPTYDG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds8

About 1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine

1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 116949448) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID116949448
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCCc1cc(C(CCCNC)NC)ccc1OC
InChIInChI=1S/C15H26N2O/c1-5-12-11-13(8-9-15(12)18-4)14(17-3)7-6-10-16-2/h8-9,11,14,16-17H,5-7,10H2,1-4H3
InChIKeyFIIYHTSORPTYDG-UHFFFAOYSA-N
XLogP2.52
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949261
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919
2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
CID 82473167
methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949463
1-(3,4-diethylphenyl)-N-methylnonan-1-amine
CID 115482264
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine (CID 116949448) is 1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine is CCc1cc(C(CCCNC)NC)ccc1OC.
What is the InChIKey of 1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is FIIYHTSORPTYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-12-11-13(8-9-15(12)18-4)14(17-3)7-6-10-16-2/h8-9,11,14,16-17H,5-7,10H2,1-4H3.
What are the key properties of 1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine?
1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).