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

C19H31NO — CID 66392350

IUPACN-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
SMILESCCNC(CCCC1Cc2cc(C)ccc2O1)C(C)(C)C
InChIInChI=1S/C19H31NO/c1-6-20-18(19(3,4)5)9-7-8-16-13-15-12-14(2)10-11-17(15)21-16/h10-12,16,18,20H,6-9,13H2,1-5H3
InChIKeyOSDXEZZMVIMLLN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.49
Rot. Bonds6

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

N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine (PubChem CID 66392350) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
PubChem CID66392350
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
SMILESCCNC(CCCC1Cc2cc(C)ccc2O1)C(C)(C)C
InChIInChI=1S/C19H31NO/c1-6-20-18(19(3,4)5)9-7-8-16-13-15-12-14(2)10-11-17(15)21-16/h10-12,16,18,20H,6-9,13H2,1-5H3
InChIKeyOSDXEZZMVIMLLN-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
CID 66391958
1-chloro-4,4-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 106354005
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
CID 66363664
1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66391960
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
2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66360193
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
N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
CID 66361837

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine (CID 66392350) is N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine is CCNC(CCCC1Cc2cc(C)ccc2O1)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine?
The InChIKey is OSDXEZZMVIMLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-20-18(19(3,4)5)9-7-8-16-13-15-12-14(2)10-11-17(15)21-16/h10-12,16,18,20H,6-9,13H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine?
N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine has a molecular weight of 289.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine is sourced from PubChem (CID 66392350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).