1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine

C18H26BrNO — CID 105177238

IUPAC1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cc2cccc(Br)c2o1
InChIInChI=1S/C18H26BrNO/c1-4-11-20-16(10-5-7-13(2)3)17-12-14-8-6-9-15(19)18(14)21-17/h6,8-9,12-13,16,20H,4-5,7,10-11H2,1-3H3
InChIKeyKUJWVLQDNPGVKY-UHFFFAOYSA-N
MW352.32 g/mol
LogP6.06
Rot. Bonds8

About 1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine

1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine (PubChem CID 105177238) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
PubChem CID105177238
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cc2cccc(Br)c2o1
InChIInChI=1S/C18H26BrNO/c1-4-11-20-16(10-5-7-13(2)3)17-12-14-8-6-9-15(19)18(14)21-17/h6,8-9,12-13,16,20H,4-5,7,10-11H2,1-3H3
InChIKeyKUJWVLQDNPGVKY-UHFFFAOYSA-N
XLogP6.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105182757
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 105173567
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440043
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine (CID 105177238) is 1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is KUJWVLQDNPGVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-4-11-20-16(10-5-7-13(2)3)17-12-14-8-6-9-15(19)18(14)21-17/h6,8-9,12-13,16,20H,4-5,7,10-11H2,1-3H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine?
1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 352.32 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 105177238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).