1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine

C18H30N2O — CID 114519577

IUPAC1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(OC2CC2)cc1
InChIInChI=1S/C18H30N2O/c1-4-19-18(13-14-20(5-2)6-3)15-7-9-16(10-8-15)21-17-11-12-17/h7-10,17-19H,4-6,11-14H2,1-3H3
InChIKeyOWASPWKPIOXLNU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds10

About 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine

1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine (PubChem CID 114519577) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
PubChem CID114519577
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(OC2CC2)cc1
InChIInChI=1S/C18H30N2O/c1-4-19-18(13-14-20(5-2)6-3)15-7-9-16(10-8-15)21-17-11-12-17/h7-10,17-19H,4-6,11-14H2,1-3H3
InChIKeyOWASPWKPIOXLNU-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 105051444
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107401588
3-(3-cyclopropyloxyphenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244252
1-(4-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 114519365
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
1-(4-cyclopropyloxyphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114519253
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine (CID 114519577) is 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine is CCNC(CCN(CC)CC)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The InChIKey is OWASPWKPIOXLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-18(13-14-20(5-2)6-3)15-7-9-16(10-8-15)21-17-11-12-17/h7-10,17-19H,4-6,11-14H2,1-3H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 114519577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).