1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol

C15H22ClNO2 — CID 79390229

IUPAC1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC1Cc2cc(Cl)ccc2O1)CC(C)(C)O
InChIInChI=1S/C15H22ClNO2/c1-4-17(10-15(2,3)18)9-13-8-11-7-12(16)5-6-14(11)19-13/h5-7,13,18H,4,8-10H2,1-3H3
InChIKeyNZNANYFMQLVEGH-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.74
Rot. Bonds5

About 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol

1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79390229) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79390229
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC1Cc2cc(Cl)ccc2O1)CC(C)(C)O
InChIInChI=1S/C15H22ClNO2/c1-4-17(10-15(2,3)18)9-13-8-11-7-12(16)5-6-14(11)19-13/h5-7,13,18H,4,8-10H2,1-3H3
InChIKeyNZNANYFMQLVEGH-UHFFFAOYSA-N
XLogP2.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 66361404
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 113476301
3-[[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]pentan-3-ol
CID 66393011
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66362741
ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate
CID 66362773
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2-methylpropanoic acid
CID 66361597
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]butan-2-ol
CID 107771287
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylaniline
CID 66391403
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 66393539
2-[[2-hydroxyethyl(propyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-ol
CID 67895461
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol (CID 79390229) is 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol is CCN(CC1Cc2cc(Cl)ccc2O1)CC(C)(C)O.
What is the InChIKey of 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is NZNANYFMQLVEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-17(10-15(2,3)18)9-13-8-11-7-12(16)5-6-14(11)19-13/h5-7,13,18H,4,8-10H2,1-3H3.
What are the key properties of 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol?
1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).