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

C14H20ClNO2 — CID 113476301

IUPAC2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCN(CC1Cc2cc(Cl)ccc2O1)C(C)(C)CO
InChIInChI=1S/C14H20ClNO2/c1-14(2,9-17)16(3)8-12-7-10-6-11(15)4-5-13(10)18-12/h4-6,12,17H,7-9H2,1-3H3
InChIKeyRMSAQKWJIFFIBA-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.35
Rot. Bonds4

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

2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 113476301) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol
PubChem CID113476301
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCN(CC1Cc2cc(Cl)ccc2O1)C(C)(C)CO
InChIInChI=1S/C14H20ClNO2/c1-14(2,9-17)16(3)8-12-7-10-6-11(15)4-5-13(10)18-12/h4-6,12,17H,7-9H2,1-3H3
InChIKeyRMSAQKWJIFFIBA-UHFFFAOYSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79390229
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 66361404
2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
CID 66361139
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4-dimethylaniline
CID 66391403
[(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]propane-1,2-diol
CID 79682199
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]butan-2-ol
CID 107771287
5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43500568
3-[[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]pentan-3-ol
CID 66393011

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol (CID 113476301) is 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol is CN(CC1Cc2cc(Cl)ccc2O1)C(C)(C)CO.
What is the InChIKey of 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is RMSAQKWJIFFIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-14(2,9-17)16(3)8-12-7-10-6-11(15)4-5-13(10)18-12/h4-6,12,17H,7-9H2,1-3H3.
What are the key properties of 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol?
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 269.77 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 113476301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).