1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol

C16H22ClNO2 — CID 103866198

IUPAC1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C16H22ClNO2/c1-3-11(4-2)14(19)10-18-9-13-12-7-5-6-8-15(12)20-16(13)17/h5-8,11,14,18-19H,3-4,9-10H2,1-2H3
InChIKeyHSMOQBMBTJMWEG-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.97
Rot. Bonds7

About 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol

1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol (PubChem CID 103866198) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol
PubChem CID103866198
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C16H22ClNO2/c1-3-11(4-2)14(19)10-18-9-13-12-7-5-6-8-15(12)20-16(13)17/h5-8,11,14,18-19H,3-4,9-10H2,1-2H3
InChIKeyHSMOQBMBTJMWEG-UHFFFAOYSA-N
XLogP3.97
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine, 4-(3-(((2-ethyl-3-benzofuranyl)methyl)amino)propyl)-
CID 3024462
Ethanol, 2-(((2-ethyl-3-benzofuranyl)methyl)amino)-
CID 56327
3-Benzofuranmethylamine, 2-ethyl-N-(3-methoxypropyl)-
CID 56476
3-Benzofuranmethylamine, N,2-diethyl-
CID 56488
3-Benzofuranmethylamine, 2-ethyl-N-(2-methoxyethyl)-
CID 56631
1,3-Propanediamine, N,N-diethyl-N'-((2-ethyl-3-benzofuranyl)methyl)-
CID 3023237
(2-Chloro-1-benzofuran-3-yl)methanamine hydrochloride
CID 134690928
[(2-Butyl-1-benzofuran-3-yl)methyl](methyl)amine
CID 4962339
(1R)-1-(4-chlorophenyl)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]ethanol
CID 52568214
N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutane-1-carboxamide
CID 136542517
2-chloro-N-[[(6R)-5-oxaspiro[3.5]nonan-6-yl]methyl]-1-benzofuran-3-carboxamide
CID 164633606
[(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol
CID 164640761

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol (CID 103866198) is 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNCc1c(Cl)oc2ccccc12.
What is the InChIKey of 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol?
The InChIKey is HSMOQBMBTJMWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-11(4-2)14(19)10-18-9-13-12-7-5-6-8-15(12)20-16(13)17/h5-8,11,14,18-19H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol?
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol has a molecular weight of 295.81 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 103866198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).