1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine

C17H28N2O — CID 79984792

IUPAC1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H28N2O/c1-4-19(13(2)12-20-3)17(11-18)16-9-7-15(8-10-16)14-5-6-14/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3
InChIKeySCSFLMLRDIPTDG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.92
Rot. Bonds8

About 1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine

1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine (PubChem CID 79984792) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
PubChem CID79984792
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCN(C(C)COC)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H28N2O/c1-4-19(13(2)12-20-3)17(11-18)16-9-7-15(8-10-16)14-5-6-14/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3
InChIKeySCSFLMLRDIPTDG-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011210
N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 79984493
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095500
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 79984037
N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991833
2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188232
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
CID 79969641
1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 79984565
N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62496776
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 54946554
1-(4-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658234

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine (CID 79984792) is 1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine is CCN(C(C)COC)C(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The InChIKey is SCSFLMLRDIPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(13(2)12-20-3)17(11-18)16-9-7-15(8-10-16)14-5-6-14/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79984792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).