N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine

C18H29NO — CID 66391958

IUPACN-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
SMILESCCNC(CCCC1Cc2cc(C)ccc2O1)C(C)C
InChIInChI=1S/C18H29NO/c1-5-19-17(13(2)3)8-6-7-16-12-15-11-14(4)9-10-18(15)20-16/h9-11,13,16-17,19H,5-8,12H2,1-4H3
InChIKeyYSQSBLMYYMQYIE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.10
Rot. Bonds7

About N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine

N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine (PubChem CID 66391958) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
PubChem CID66391958
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
SMILESCCNC(CCCC1Cc2cc(C)ccc2O1)C(C)C
InChIInChI=1S/C18H29NO/c1-5-19-17(13(2)3)8-6-7-16-12-15-11-14(4)9-10-18(15)20-16/h9-11,13,16-17,19H,5-8,12H2,1-4H3
InChIKeyYSQSBLMYYMQYIE-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
CID 66392350
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308
2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66360193
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
CID 66360873
1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66391960
N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine
CID 66362736
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
CID 66391376
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine
CID 66361974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine?
The IUPAC name of N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine (CID 66391958) is N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine is CCNC(CCCC1Cc2cc(C)ccc2O1)C(C)C.
What is the InChIKey of N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine?
The InChIKey is YSQSBLMYYMQYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-17(13(2)3)8-6-7-16-12-15-11-14(4)9-10-18(15)20-16/h9-11,13,16-17,19H,5-8,12H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine?
N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine has a molecular weight of 275.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine is sourced from PubChem (CID 66391958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).