4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine

C15H22ClNO — CID 83049836

IUPAC4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2c(Cl)ccc(C)c2OC1CCC
InChIInChI=1S/C15H22ClNO/c1-4-6-12-14(17-9-5-2)13-11(16)8-7-10(3)15(13)18-12/h7-8,12,14,17H,4-6,9H2,1-3H3
InChIKeyRTFSOMLPDNVUBD-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.25
Rot. Bonds5

About 4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine

4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049836) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049836
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2c(Cl)ccc(C)c2OC1CCC
InChIInChI=1S/C15H22ClNO/c1-4-6-12-14(17-9-5-2)13-11(16)8-7-10(3)15(13)18-12/h7-8,12,14,17H,4-6,9H2,1-3H3
InChIKeyRTFSOMLPDNVUBD-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dichloro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049608
N,4,7-trimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048813
7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049829
N,7-dimethyl-4-propan-2-yl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049218
N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048808
N,2-dipropyl-2,3-dihydrobenzo[g][1]benzofuran-3-amine
CID 83049499
4,6-difluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049410
4,7-difluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83050209
5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64662423
9-bromo-N,2-dipropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 83039979
5,8-dichloro-3-methyl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82888876
2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64663645

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049836) is 4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2c(Cl)ccc(C)c2OC1CCC.
What is the InChIKey of 4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is RTFSOMLPDNVUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-6-12-14(17-9-5-2)13-11(16)8-7-10(3)15(13)18-12/h7-8,12,14,17H,4-6,9H2,1-3H3.
What are the key properties of 4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine?
4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 267.80 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methyl-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).