[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine

C16H18N2O — CID 116937080

IUPAC[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNCc1ccc(C(N)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H18N2O/c17-10-11-1-3-12(4-2-11)16(18)14-5-6-15-13(9-14)7-8-19-15/h1-6,9,16H,7-8,10,17-18H2
InChIKeyQRIHYZFSAWXGND-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.13
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine

[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 116937080) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID116937080
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNCc1ccc(C(N)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H18N2O/c17-10-11-1-3-12(4-2-11)16(18)14-5-6-15-13(9-14)7-8-19-15/h1-6,9,16H,7-8,10,17-18H2
InChIKeyQRIHYZFSAWXGND-UHFFFAOYSA-N
XLogP2.13
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
CID 115604905
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of [4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 116937080) is [4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine is NCc1ccc(C(N)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is QRIHYZFSAWXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-10-11-1-3-12(4-2-11)16(18)14-5-6-15-13(9-14)7-8-19-15/h1-6,9,16H,7-8,10,17-18H2.
What are the key properties of [4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 116937080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).