N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine

C18H32N2O — CID 79094593

IUPACN,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-6-19-18(13-14-20(7-2)8-3)16-9-11-17(12-10-16)21-15(4)5/h9-12,15,18-19H,6-8,13-14H2,1-5H3
InChIKeyAWINSDPGRQXPAT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.86
Rot. Bonds10

About N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine

N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine (PubChem CID 79094593) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
PubChem CID79094593
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-6-19-18(13-14-20(7-2)8-3)16-9-11-17(12-10-16)21-15(4)5/h9-12,15,18-19H,6-8,13-14H2,1-5H3
InChIKeyAWINSDPGRQXPAT-UHFFFAOYSA-N
XLogP3.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753
1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114519577
N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine
CID 43492130
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
N-ethyl-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine
CID 116660776
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 63832362
1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
N-ethyl-3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144630

Frequently Asked Questions

What is the IUPAC name of N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine?
The IUPAC name of N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine (CID 79094593) is N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine?
The canonical SMILES for N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine is CCNC(CCN(CC)CC)c1ccc(OC(C)C)cc1.
What is the InChIKey of N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine?
The InChIKey is AWINSDPGRQXPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-19-18(13-14-20(7-2)8-3)16-9-11-17(12-10-16)21-15(4)5/h9-12,15,18-19H,6-8,13-14H2,1-5H3.
What are the key properties of N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine?
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 79094593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).