2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol

C18H30N2O — CID 64825667

IUPAC2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(CC)c1cccc(C)c1)C1CC1
InChIInChI=1S/C18H30N2O/c1-4-11-19-18(14-21,16-9-10-16)13-20(5-2)17-8-6-7-15(3)12-17/h6-8,12,16,19,21H,4-5,9-11,13-14H2,1-3H3
InChIKeyQJVQUJNUBAJAOO-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.96
Rot. Bonds9

About 2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol

2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol (PubChem CID 64825667) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol
PubChem CID64825667
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN(CC)c1cccc(C)c1)C1CC1
InChIInChI=1S/C18H30N2O/c1-4-11-19-18(14-21,16-9-10-16)13-20(5-2)17-8-6-7-15(3)12-17/h6-8,12,16,19,21H,4-5,9-11,13-14H2,1-3H3
InChIKeyQJVQUJNUBAJAOO-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64791529
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
2-amino-2-cyclopropyl-3-(N-ethyl-3-methylanilino)propanoic acid
CID 63911523
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
3-[cyclopentyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64797055
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64798182
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol
CID 64790377

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol (CID 64825667) is 2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol is CCCNC(CO)(CN(CC)c1cccc(C)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol?
The InChIKey is QJVQUJNUBAJAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-11-19-18(14-21,16-9-10-16)13-20(5-2)17-8-6-7-15(3)12-17/h6-8,12,16,19,21H,4-5,9-11,13-14H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64825667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).