N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine

C15H23NO — CID 64865774

IUPACN-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H23NO/c1-4-9-16-10-8-12-6-5-7-13-11-15(2,3)17-14(12)13/h5-7,16H,4,8-11H2,1-3H3
InChIKeyKZZVGZLMTPZPPD-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine

N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine (PubChem CID 64865774) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine
PubChem CID64865774
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C15H23NO/c1-4-9-16-10-8-12-6-5-7-13-11-15(2,3)17-14(12)13/h5-7,16H,4,8-11H2,1-3H3
InChIKeyKZZVGZLMTPZPPD-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
CID 64865974
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]-2-methylpropan-2-amine
CID 64865805
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-propylprop-2-en-1-amine
CID 79348474
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol
CID 64512125
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)butanoic acid
CID 64507705
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64507929
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 64508823
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine
CID 64508402
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117313350
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117311226

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine (CID 64865774) is N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine is CCCNCCc1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine?
The InChIKey is KZZVGZLMTPZPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-9-16-10-8-12-6-5-7-13-11-15(2,3)17-14(12)13/h5-7,16H,4,8-11H2,1-3H3.
What are the key properties of N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine?
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine is sourced from PubChem (CID 64865774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).