1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine

C13H16ClNO — CID 105499911

IUPAC1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cc(Cl)cc3c2OCC3)CC1
InChIInChI=1S/C13H16ClNO/c14-11-7-9(1-3-13(15)4-5-13)12-10(8-11)2-6-16-12/h7-8H,1-6,15H2
InChIKeyYWAXYEWGMSRQAT-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.70
Rot. Bonds3

About 1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine

1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine (PubChem CID 105499911) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
PubChem CID105499911
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cc(Cl)cc3c2OCC3)CC1
InChIInChI=1S/C13H16ClNO/c14-11-7-9(1-3-13(15)4-5-13)12-10(8-11)2-6-16-12/h7-8H,1-6,15H2
InChIKeyYWAXYEWGMSRQAT-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine (CID 105499911) is 1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine is NC1(CCc2cc(Cl)cc3c2OCC3)CC1.
What is the InChIKey of 1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine?
The InChIKey is YWAXYEWGMSRQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-7-9(1-3-13(15)4-5-13)12-10(8-11)2-6-16-12/h7-8H,1-6,15H2.
What are the key properties of 1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine?
1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine has a molecular weight of 237.73 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105499911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).