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

C14H21NO — CID 66360873

IUPACN-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
SMILESCc1ccc2c(c1)CC(CCNC(C)C)O2
InChIInChI=1S/C14H21NO/c1-10(2)15-7-6-13-9-12-8-11(3)4-5-14(12)16-13/h4-5,8,10,13,15H,6-7,9H2,1-3H3
InChIKeyHMSIONHQXWZCHL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.69
Rot. Bonds4

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

N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine (PubChem CID 66360873) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
PubChem CID66360873
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
SMILESCc1ccc2c(c1)CC(CCNC(C)C)O2
InChIInChI=1S/C14H21NO/c1-10(2)15-7-6-13-9-12-8-11(3)4-5-14(12)16-13/h4-5,8,10,13,15H,6-7,9H2,1-3H3
InChIKeyHMSIONHQXWZCHL-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 83150962
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
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
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
CID 66391376
N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
CID 66391958
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine
CID 66362736
1-N,1-N-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
CID 82939013
2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66360193
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine (CID 66360873) is N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine is Cc1ccc2c(c1)CC(CCNC(C)C)O2.
What is the InChIKey of N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine?
The InChIKey is HMSIONHQXWZCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)15-7-6-13-9-12-8-11(3)4-5-14(12)16-13/h4-5,8,10,13,15H,6-7,9H2,1-3H3.
What are the key properties of N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine?
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 66360873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).