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

C15H20ClNO2 — CID 103866300

IUPAC3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C15H20ClNO2/c1-3-15(2,8-9-18)17-10-12-11-6-4-5-7-13(11)19-14(12)16/h4-7,17-18H,3,8-10H2,1-2H3
InChIKeyUMCGJRMWPYJQFM-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.73
Rot. Bonds6

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

3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol (PubChem CID 103866300) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol
PubChem CID103866300
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C15H20ClNO2/c1-3-15(2,8-9-18)17-10-12-11-6-4-5-7-13(11)19-14(12)16/h4-7,17-18H,3,8-10H2,1-2H3
InChIKeyUMCGJRMWPYJQFM-UHFFFAOYSA-N
XLogP3.73
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-Benzofuran-3-yl)methyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 44438234
(E)-N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine;hydrochloride
CID 137637785
(E)-N-(1-benzofuran-3-ylmethyl)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137657879
(E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137658868
(E)-N-(1-benzofuran-3-ylmethyl)-3-(3-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137645467
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
I.S. 2988
CID 3047736
Methyl(2-methylbenzofuran-3-ylmethyl)amine
CID 66967084

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol (CID 103866300) is 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol is CCC(C)(CCO)NCc1c(Cl)oc2ccccc12.
What is the InChIKey of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol?
The InChIKey is UMCGJRMWPYJQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-15(2,8-9-18)17-10-12-11-6-4-5-7-13(11)19-14(12)16/h4-7,17-18H,3,8-10H2,1-2H3.
What are the key properties of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol?
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol has a molecular weight of 281.78 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol is sourced from PubChem (CID 103866300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).