1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine

C15H26N2O — CID 79087707

IUPAC1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine
SMILESCCN(CC)CCC(N)Cc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)11-10-14(16)12-13-8-6-7-9-15(13)18-3/h6-9,14H,4-5,10-12,16H2,1-3H3
InChIKeyUTWUNGTYTIHRFV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.30
Rot. Bonds8

About 1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine

1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine (PubChem CID 79087707) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine
PubChem CID79087707
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine
SMILESCCN(CC)CCC(N)Cc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)11-10-14(16)12-13-8-6-7-9-15(13)18-3/h6-9,14H,4-5,10-12,16H2,1-3H3
InChIKeyUTWUNGTYTIHRFV-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
CID 65017667
1-N-ethyl-1-N-[(2-methoxyphenyl)methyl]hexane-1,2-diamine
CID 91088877
1-(2-methoxyphenyl)-4-methylsulfonylbutan-2-amine
CID 62600844
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
4-(2-bromo-5-fluorophenyl)-1-N,1-N-diethylbutane-1,3-diamine
CID 79087890
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine
CID 65128844
N,N-diethyl-3-hydrazinyl-3-(2-methoxyphenyl)propan-1-amine
CID 105243936
N,N-diethyl-2-[(2-methoxyphenyl)methylsulfanyl]ethanamine
CID 23621598
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
1-(furan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 83174719

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine (CID 79087707) is 1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine is CCN(CC)CCC(N)Cc1ccccc1OC.
What is the InChIKey of 1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine?
The InChIKey is UTWUNGTYTIHRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(5-2)11-10-14(16)12-13-8-6-7-9-15(13)18-3/h6-9,14H,4-5,10-12,16H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine?
1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine is sourced from PubChem (CID 79087707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).