N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine

C14H24N2O — CID 79087795

IUPACN',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)10-9-14(15)12-7-6-8-13(11-12)17-3/h6-8,11,14H,4-5,9-10,15H2,1-3H3
InChIKeyIEOIKJLBTHJZSC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.43
Rot. Bonds7

About N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine

N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine (PubChem CID 79087795) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
PubChem CID79087795
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)10-9-14(15)12-7-6-8-13(11-12)17-3/h6-8,11,14H,4-5,9-10,15H2,1-3H3
InChIKeyIEOIKJLBTHJZSC-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 103395679
1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 43193479
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55098411
1-(3-methoxyphenyl)-3-methylhexan-1-amine
CID 62605848
2-N-[2-amino-2-(3-methoxyphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188425
2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 114231232
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
CID 105086643

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine (CID 79087795) is N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine is CCN(CC)CCC(N)c1cccc(OC)c1.
What is the InChIKey of N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine?
The InChIKey is IEOIKJLBTHJZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-16(5-2)10-9-14(15)12-7-6-8-13(11-12)17-3/h6-8,11,14H,4-5,9-10,15H2,1-3H3.
What are the key properties of N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine?
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 79087795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).