2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol

C17H28N2O2 — CID 64789926

IUPAC2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol
SMILESCOc1ccccc1N(C)CC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C17H28N2O2/c1-13(2)18-17(12-20,14-9-10-14)11-19(3)15-7-5-6-8-16(15)21-4/h5-8,13-14,18,20H,9-12H2,1-4H3
InChIKeyRPFNNPHMDVEJGV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.27
Rot. Bonds8

About 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64789926) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64789926
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol
SMILESCOc1ccccc1N(C)CC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C17H28N2O2/c1-13(2)18-17(12-20,14-9-10-14)11-19(3)15-7-5-6-8-16(15)21-4/h5-8,13-14,18,20H,9-12H2,1-4H3
InChIKeyRPFNNPHMDVEJGV-UHFFFAOYSA-N
XLogP2.27
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 64791730
2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64790739
2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol
CID 64919153
N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62259584
2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol
CID 64791546
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
CID 63914238
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
2-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 62430750
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 81063258
N-cyclopropyl-2,2-diethyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62259922
2-(ethylamino)-4-(2-methoxy-N-methylanilino)-2-methylbutan-1-ol
CID 64791522
N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562030

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol (CID 64789926) is 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol is COc1ccccc1N(C)CC(CO)(NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is RPFNNPHMDVEJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)18-17(12-20,14-9-10-14)11-19(3)15-7-5-6-8-16(15)21-4/h5-8,13-14,18,20H,9-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64789926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).