1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride

C19H24ClNO — CID 18352745

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride
SMILESCC(Cc1ccc2c(c1)CCO2)NC(C)c1ccccc1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-14(20-15(2)17-6-4-3-5-7-17)12-16-8-9-19-18(13-16)10-11-21-19;/h3-9,13-15,20H,10-12H2,1-2H3;1H
InChIKeyRTMLDMNOFWWYEC-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.33
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride (PubChem CID 18352745) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride
PubChem CID18352745
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride
SMILESCC(Cc1ccc2c(c1)CCO2)NC(C)c1ccccc1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-14(20-15(2)17-6-4-3-5-7-17)12-16-8-9-19-18(13-16)10-11-21-19;/h3-9,13-15,20H,10-12H2,1-2H3;1H
InChIKeyRTMLDMNOFWWYEC-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-phenylpropan-1-amine
CID 104545252
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide
CID 100692443
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 100692416
2-chloro-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]benzamide
CID 100691959
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721971
(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol
CID 104922890
3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide
CID 100692740
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 91813491
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347474

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride (CID 18352745) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride is CC(Cc1ccc2c(c1)CCO2)NC(C)c1ccccc1.Cl.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride?
The InChIKey is RTMLDMNOFWWYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-14(20-15(2)17-6-4-3-5-7-17)12-16-8-9-19-18(13-16)10-11-21-19;/h3-9,13-15,20H,10-12H2,1-2H3;1H.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-phenylethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 18352745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).