1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine

C18H30N2O — CID 114519558

IUPAC1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
SMILESCCCNC(c1ccc(OC2CC2)cc1)C(C)(C)N(C)C
InChIInChI=1S/C18H30N2O/c1-6-13-19-17(18(2,3)20(4)5)14-7-9-15(10-8-14)21-16-11-12-16/h7-10,16-17,19H,6,11-13H2,1-5H3
InChIKeyAWFDZXDKTBZUED-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds8

About 1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine

1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine (PubChem CID 114519558) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
PubChem CID114519558
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
SMILESCCCNC(c1ccc(OC2CC2)cc1)C(C)(C)N(C)C
InChIInChI=1S/C18H30N2O/c1-6-13-19-17(18(2,3)20(4)5)14-7-9-15(10-8-14)21-16-11-12-16/h7-10,16-17,19H,6,11-13H2,1-5H3
InChIKeyAWFDZXDKTBZUED-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-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-(4-cyclopropyloxyphenyl)-1-N-ethyl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114519557
1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114519571
1-(4-cyclopropyloxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239235
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
N-[1-(4-cyclopropyloxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105188528
N-[(4-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114519486
1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114521871
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
CID 79057289
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758183

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine (CID 114519558) is 1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine is CCCNC(c1ccc(OC2CC2)cc1)C(C)(C)N(C)C.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The InChIKey is AWFDZXDKTBZUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-13-19-17(18(2,3)20(4)5)14-7-9-15(10-8-14)21-16-11-12-16/h7-10,16-17,19H,6,11-13H2,1-5H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 114519558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).