1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol

C13H24N2O2 — CID 61423306

IUPAC1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol
SMILESCCN(Cc1ccco1)CC(O)CNC(C)C
InChIInChI=1S/C13H24N2O2/c1-4-15(10-13-6-5-7-17-13)9-12(16)8-14-11(2)3/h5-7,11-12,14,16H,4,8-10H2,1-3H3
InChIKeyLYZOYUVTCBLDFU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.46
Rot. Bonds8

About 1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol

1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 61423306) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol
PubChem CID61423306
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol
SMILESCCN(Cc1ccco1)CC(O)CNC(C)C
InChIInChI=1S/C13H24N2O2/c1-4-15(10-13-6-5-7-17-13)9-12(16)8-14-11(2)3/h5-7,11-12,14,16H,4,8-10H2,1-3H3
InChIKeyLYZOYUVTCBLDFU-UHFFFAOYSA-N
XLogP1.46
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
CID 63619200
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
(2S)-1-[furan-2-ylmethyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161246
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol
CID 24713749
3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193959
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol (CID 61423306) is 1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol is CCN(Cc1ccco1)CC(O)CNC(C)C.
What is the InChIKey of 1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is LYZOYUVTCBLDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-15(10-13-6-5-7-17-13)9-12(16)8-14-11(2)3/h5-7,11-12,14,16H,4,8-10H2,1-3H3.
What are the key properties of 1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol?
1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 61423306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).