2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine

C15H18ClNO — CID 168925902

IUPAC2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine
SMILESC=C(c1ccc2ccoc2c1)C(CCCl)NCC
InChIInChI=1S/C15H18ClNO/c1-3-17-14(6-8-16)11(2)13-5-4-12-7-9-18-15(12)10-13/h4-5,7,9-10,14,17H,2-3,6,8H2,1H3
InChIKeyRANYEKVGHPTQQK-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.05
Rot. Bonds6

About 2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine

2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine (PubChem CID 168925902) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine.

Molecular Properties

Compound Name2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine
PubChem CID168925902
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine
SMILESC=C(c1ccc2ccoc2c1)C(CCCl)NCC
InChIInChI=1S/C15H18ClNO/c1-3-17-14(6-8-16)11(2)13-5-4-12-7-9-18-15(12)10-13/h4-5,7,9-10,14,17H,2-3,6,8H2,1H3
InChIKeyRANYEKVGHPTQQK-UHFFFAOYSA-N
XLogP4.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzofuran-6-yl)-2-(ethylamino)but-3-en-1-ol
CID 166892632
1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
CID 166892629
1-(1-benzofuran-6-yl)-4-chloro-2-(ethylamino)butan-1-ol
CID 163780853
1-(1-benzofuran-6-yl)-2-(ethylamino)-3,3-difluoropropan-1-one
CID 166892538
1-(1-benzofuran-6-yl)-3-chloro-2-(methylamino)propan-1-one
CID 166892590
1-(1-benzofuran-6-yl)ethenol
CID 137387938
3-(1-benzofuran-6-yl)-2-(ethylamino)butane-1,3-diol
CID 166892615
3-(1-benzofuran-6-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 168924123
(NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine
CID 87119506
N-(1-benzofuran-6-yloxy)ethanamine
CID 168924313
CID 168924175
CID 168924175
2-(1-benzofuran-6-yl)-4-chloro-1-fluoro-3-(methylamino)butan-2-ol
CID 166892349

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine?
The IUPAC name of 2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine (CID 168925902) is 2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine.
What is the SMILES notation for 2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine?
The canonical SMILES for 2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine is C=C(c1ccc2ccoc2c1)C(CCCl)NCC.
What is the InChIKey of 2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine?
The InChIKey is RANYEKVGHPTQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-3-17-14(6-8-16)11(2)13-5-4-12-7-9-18-15(12)10-13/h4-5,7,9-10,14,17H,2-3,6,8H2,1H3.
What are the key properties of 2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine?
2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine has a molecular weight of 263.77 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-6-yl)-5-chloro-N-ethylpent-1-en-3-amine is sourced from PubChem (CID 168925902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).