(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine

C12H17NO — CID 130612679

IUPAC(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine
SMILESC[C@H](N)CCc1cccc2c1CCO2
InChIInChI=1S/C12H17NO/c1-9(13)5-6-10-3-2-4-12-11(10)7-8-14-12/h2-4,9H,5-8,13H2,1H3/t9-/m0/s1
InChIKeyGCEOELDEWMRKAA-VIFPVBQESA-N
MW191.27 g/mol
LogP1.90
Rot. Bonds3

About (2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine

(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine (PubChem CID 130612679) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine
PubChem CID130612679
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine
SMILESC[C@H](N)CCc1cccc2c1CCO2
InChIInChI=1S/C12H17NO/c1-9(13)5-6-10-3-2-4-12-11(10)7-8-14-12/h2-4,9H,5-8,13H2,1H3/t9-/m0/s1
InChIKeyGCEOELDEWMRKAA-VIFPVBQESA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
4-(bromomethyl)-2,3-dihydro-1-benzofuran
CID 139534248
4-(2,3-dihydro-1-benzofuran-4-yl)butan-1-amine
CID 117282588
1-(2,3-dihydro-1-benzofuran-4-yl)-N,N-dimethylmethanamine
CID 141164132
1-(2,3-dihydro-1-benzofuran-4-ylmethyl)cyclopropan-1-amine
CID 117281579
4-prop-2-enyl-2,3-dihydro-1-benzofuran
CID 67079342
4-butan-2-yl-2,3-dihydro-1-benzofuran
CID 144643347
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
3-(3,4-dihydro-2H-chromen-5-yl)propanamide
CID 19611662
1-(2,3,7,8-tetrahydrofuro[2,3-g]indol-1-yl)propan-2-amine
CID 22282657
(2S)-4-(2,3-dibromophenyl)butan-2-amine
CID 130665631
4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 177208658

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine?
The IUPAC name of (2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine (CID 130612679) is (2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine.
What is the SMILES notation for (2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine?
The canonical SMILES for (2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine is C[C@H](N)CCc1cccc2c1CCO2.
What is the InChIKey of (2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine?
The InChIKey is GCEOELDEWMRKAA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO/c1-9(13)5-6-10-3-2-4-12-11(10)7-8-14-12/h2-4,9H,5-8,13H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine?
(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine is sourced from PubChem (CID 130612679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).