1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine

C14H18ClNO — CID 117382918

IUPAC1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine
SMILESCC1(C)Cc2cc(Cl)cc(CC3(N)CC3)c2O1
InChIInChI=1S/C14H18ClNO/c1-13(2)7-9-5-11(15)6-10(12(9)17-13)8-14(16)3-4-14/h5-6H,3-4,7-8,16H2,1-2H3
InChIKeyTZJMNMUBRQPVPS-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.09
Rot. Bonds2

About 1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine

1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine (PubChem CID 117382918) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine
PubChem CID117382918
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine
SMILESCC1(C)Cc2cc(Cl)cc(CC3(N)CC3)c2O1
InChIInChI=1S/C14H18ClNO/c1-13(2)7-9-5-11(15)6-10(12(9)17-13)8-14(16)3-4-14/h5-6H,3-4,7-8,16H2,1-2H3
InChIKeyTZJMNMUBRQPVPS-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine (CID 117382918) is 1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine is CC1(C)Cc2cc(Cl)cc(CC3(N)CC3)c2O1.
What is the InChIKey of 1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine?
The InChIKey is TZJMNMUBRQPVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-13(2)7-9-5-11(15)6-10(12(9)17-13)8-14(16)3-4-14/h5-6H,3-4,7-8,16H2,1-2H3.
What are the key properties of 1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine?
1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine has a molecular weight of 251.76 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117382918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).