[(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride

C18H18ClNO — CID 44572301

IUPAC[(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1cccc(-c2cc3ccccc3o2)c1
InChIInChI=1S/C18H17NO.ClH/c19-11-15-9-16(15)12-5-3-6-13(8-12)18-10-14-4-1-2-7-17(14)20-18;/h1-8,10,15-16H,9,11,19H2;1H/t15-,16-;/m1./s1
InChIKeyYQXRKAIFNAGBFJ-QNBGGDODSA-N
MW299.80 g/mol
LogP4.58
Rot. Bonds3

About [(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 44572301) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is [(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride
PubChem CID44572301
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name[(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1cccc(-c2cc3ccccc3o2)c1
InChIInChI=1S/C18H17NO.ClH/c19-11-15-9-16(15)12-5-3-6-13(8-12)18-10-14-4-1-2-7-17(14)20-18;/h1-8,10,15-16H,9,11,19H2;1H/t15-,16-;/m1./s1
InChIKeyYQXRKAIFNAGBFJ-QNBGGDODSA-N
XLogP4.58
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride (CID 44572301) is [(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1cccc(-c2cc3ccccc3o2)c1.
What is the InChIKey of [(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is YQXRKAIFNAGBFJ-QNBGGDODSA-N. The full InChI is InChI=1S/C18H17NO.ClH/c19-11-15-9-16(15)12-5-3-6-13(8-12)18-10-14-4-1-2-7-17(14)20-18;/h1-8,10,15-16H,9,11,19H2;1H/t15-,16-;/m1./s1.
What are the key properties of [(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[3-(1-benzofuran-2-yl)phenyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).