1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine

C15H22ClNO — CID 113403548

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H22ClNO/c1-3-6-17-14(4-2)10-12-9-13(16)8-11-5-7-18-15(11)12/h8-9,14,17H,3-7,10H2,1-2H3
InChIKeyPCQIOEUEFBNAJD-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.60
Rot. Bonds6

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine (PubChem CID 113403548) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine
PubChem CID113403548
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H22ClNO/c1-3-6-17-14(4-2)10-12-9-13(16)8-11-5-7-18-15(11)12/h8-9,14,17H,3-7,10H2,1-2H3
InChIKeyPCQIOEUEFBNAJD-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105178381
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 105031458
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692957
4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244044
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethoxy-N-ethylpentan-2-amine
CID 116717008
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine
CID 105031448
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105178562
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-2-ol
CID 113403524
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]hex-1-yn-3-amine
CID 106230137

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine (CID 113403548) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine is CCCNC(CC)Cc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine?
The InChIKey is PCQIOEUEFBNAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-6-17-14(4-2)10-12-9-13(16)8-11-5-7-18-15(11)12/h8-9,14,17H,3-7,10H2,1-2H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 113403548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).