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

C14H18ClNO2 — CID 82705341

IUPAC1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C14H18ClNO2/c1-3-14(2,17)9-16-8-11-10-6-4-5-7-12(10)18-13(11)15/h4-7,16-17H,3,8-9H2,1-2H3
InChIKeyBRGJXYJEKGMYAM-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.34
Rot. Bonds5

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

1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol (PubChem CID 82705341) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol
PubChem CID82705341
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C14H18ClNO2/c1-3-14(2,17)9-16-8-11-10-6-4-5-7-12(10)18-13(11)15/h4-7,16-17H,3,8-9H2,1-2H3
InChIKeyBRGJXYJEKGMYAM-UHFFFAOYSA-N
XLogP3.34
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115777581
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 82757959
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529403
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 103866300
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 82759972
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol
CID 103866198
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine
CID 113488701
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylsulfanylethanamine
CID 82705605
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
CID 82705158

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol (CID 82705341) is 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1c(Cl)oc2ccccc12.
What is the InChIKey of 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol?
The InChIKey is BRGJXYJEKGMYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-14(2,17)9-16-8-11-10-6-4-5-7-12(10)18-13(11)15/h4-7,16-17H,3,8-9H2,1-2H3.
What are the key properties of 1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol?
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol has a molecular weight of 267.76 g/mol, XLogP of 3.34, 5 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]-2-methylbutan-2-ol is sourced from PubChem (CID 82705341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).