5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine

C15H23NO — CID 65305870

IUPAC5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine
SMILESCC1(C)Cc2cc(CCCCCN)ccc2O1
InChIInChI=1S/C15H23NO/c1-15(2)11-13-10-12(6-4-3-5-9-16)7-8-14(13)17-15/h7-8,10H,3-6,9,11,16H2,1-2H3
InChIKeyFEZQVSMBHDEISR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.07
Rot. Bonds5

About 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine

5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine (PubChem CID 65305870) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine
PubChem CID65305870
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine
SMILESCC1(C)Cc2cc(CCCCCN)ccc2O1
InChIInChI=1S/C15H23NO/c1-15(2)11-13-10-12(6-4-3-5-9-16)7-8-14(13)17-15/h7-8,10H,3-6,9,11,16H2,1-2H3
InChIKeyFEZQVSMBHDEISR-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 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 ≤ 53.07
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

6-(2-Aminopropyl)-2,3-dihydrobenzofuran
CID 192599
5-Apdb
CID 192601
4-Ethoxy-alpha-methylbenzeneethanamine
CID 125379
1-Butanamine, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
CID 104033
1-(4-Propoxyphenyl)propan-2-amine
CID 3027265
Tetrahydrofuranyl ethylamine, 15
CID 44143473
2-(4-Ethoxyphenyl)ethan-1-amine
CID 143354
2,3-Dihydro-1-benzofuran-5-ylmethanamine
CID 2735367
4-Methoxy-alpha-methylbenzenepropanamine
CID 410202
3-(4-Methoxyphenyl)propan-1-amine
CID 3029815
1-(2,3-Dihydrobenzofuran-5-yl)-N-methylpropan-2-amine
CID 112500533
1-(4-Butoxyphenyl)propan-2-amine
CID 21341306

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine?
The IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine (CID 65305870) is 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine.
What is the SMILES notation for 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine?
The canonical SMILES for 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine is CC1(C)Cc2cc(CCCCCN)ccc2O1.
What is the InChIKey of 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine?
The InChIKey is FEZQVSMBHDEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2)11-13-10-12(6-4-3-5-9-16)7-8-14(13)17-15/h7-8,10H,3-6,9,11,16H2,1-2H3.
What are the key properties of 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine?
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine is sourced from PubChem (CID 65305870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).