(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine

C18H19NO — CID 58035595

IUPAC(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H19NO/c1-2-4-14(5-3-1)16-11-17(16)19-12-13-6-7-18-15(10-13)8-9-20-18/h1-7,10,16-17,19H,8-9,11-12H2/t16?,17-/m0/s1
InChIKeyTTXWEMJMARARTN-DJNXLDHESA-N
MW265.36 g/mol
LogP3.27
Rot. Bonds4

About (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine

(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine (PubChem CID 58035595) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine
PubChem CID58035595
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H19NO/c1-2-4-14(5-3-1)16-11-17(16)19-12-13-6-7-18-15(10-13)8-9-20-18/h1-7,10,16-17,19H,8-9,11-12H2/t16?,17-/m0/s1
InChIKeyTTXWEMJMARARTN-DJNXLDHESA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine (CID 58035595) is (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine is c1ccc(C2C[C@@H]2NCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine?
The InChIKey is TTXWEMJMARARTN-DJNXLDHESA-N. The full InChI is InChI=1S/C18H19NO/c1-2-4-14(5-3-1)16-11-17(16)19-12-13-6-7-18-15(10-13)8-9-20-18/h1-7,10,16-17,19H,8-9,11-12H2/t16?,17-/m0/s1.
What are the key properties of (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine?
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 58035595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).