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

C16H26N2O — CID 64790377

IUPAC2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol
SMILESCCN(CC(CO)(NC)C1CC1)c1ccccc1C
InChIInChI=1S/C16H26N2O/c1-4-18(15-8-6-5-7-13(15)2)11-16(12-19,17-3)14-9-10-14/h5-8,14,17,19H,4,9-12H2,1-3H3
InChIKeyNAKUWDRUPMHTBQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.18
Rot. Bonds7

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

2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol (PubChem CID 64790377) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol
PubChem CID64790377
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol
SMILESCCN(CC(CO)(NC)C1CC1)c1ccccc1C
InChIInChI=1S/C16H26N2O/c1-4-18(15-8-6-5-7-13(15)2)11-16(12-19,17-3)14-9-10-14/h5-8,14,17,19H,4,9-12H2,1-3H3
InChIKeyNAKUWDRUPMHTBQ-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid
CID 63907183
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-2-methylanilino)propanamide
CID 63906338
2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64790739
2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol
CID 64825667
1-N-ethyl-3-N,2,2-trimethyl-1-N-(2-methylphenyl)butane-1,3-diamine
CID 66453180
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
2-cyclopropyl-3-(N,2-dimethylanilino)-2-(methylamino)propanoic acid
CID 63919631
2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol
CID 64791546
N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline
CID 63483418
2-cyclopropyl-2-(ethylamino)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 64791730
2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine
CID 63483965
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propan-1-ol
CID 64795947

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol (CID 64790377) is 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol is CCN(CC(CO)(NC)C1CC1)c1ccccc1C.
What is the InChIKey of 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol?
The InChIKey is NAKUWDRUPMHTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(15-8-6-5-7-13(15)2)11-16(12-19,17-3)14-9-10-14/h5-8,14,17,19H,4,9-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.18, 7 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-2-methylanilino)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64790377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).