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

C16H25NO — CID 66361837

IUPACN-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
SMILESCCNCC(C)(C)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C16H25NO/c1-5-17-11-16(3,4)10-14-9-13-8-12(2)6-7-15(13)18-14/h6-8,14,17H,5,9-11H2,1-4H3
InChIKeyMOKKLVCVXMANPO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds5

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

N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine (PubChem CID 66361837) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
PubChem CID66361837
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine
SMILESCCNCC(C)(C)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C16H25NO/c1-5-17-11-16(3,4)10-14-9-13-8-12(2)6-7-15(13)18-14/h6-8,14,17H,5,9-11H2,1-4H3
InChIKeyMOKKLVCVXMANPO-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 83150962
2-[2-(bromomethyl)-2-methylbutyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66393523
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol
CID 66393326
2-[2,2-bis(bromomethyl)butyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 79455391
2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393519
N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66360803
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66361361
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]but-3-en-1-ol
CID 102641833
3,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylbutan-1-amine
CID 83141199
N-ethyl-2,2-dimethyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
CID 66392350

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine (CID 66361837) is N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine is CCNCC(C)(C)CC1Cc2cc(C)ccc2O1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is MOKKLVCVXMANPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-17-11-16(3,4)10-14-9-13-8-12(2)6-7-15(13)18-14/h6-8,14,17H,5,9-11H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine?
N-ethyl-2,2-dimethyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.32, 5 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-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 66361837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).