N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

C13H19NO — CID 43512441

IUPACN-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2ccc(C(C)C)cc21
InChIInChI=1S/C13H19NO/c1-4-14-12-8-15-13-6-5-10(9(2)3)7-11(12)13/h5-7,9,12,14H,4,8H2,1-3H3
InChIKeyGLJKBPOWRFJHCV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.85
Rot. Bonds3

About N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512441) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512441
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2ccc(C(C)C)cc21
InChIInChI=1S/C13H19NO/c1-4-14-12-8-15-13-6-5-10(9(2)3)7-11(12)13/h5-7,9,12,14H,4,8H2,1-3H3
InChIKeyGLJKBPOWRFJHCV-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864
N'-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propane-1,3-diamine
CID 82246436
5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 115410640
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 55219020
N-ethyl-7,9-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62729891
N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 62549578
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097
2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 134391362
2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 82083096
N-(3-imidazol-1-ylpropyl)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 82461492
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline
CID 79226180

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (CID 43512441) is N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2ccc(C(C)C)cc21.
What is the InChIKey of N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is GLJKBPOWRFJHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-14-12-8-15-13-6-5-10(9(2)3)7-11(12)13/h5-7,9,12,14H,4,8H2,1-3H3.
What are the key properties of N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).