1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine

C15H21NO — CID 114733291

IUPAC1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCc1cc2ccccc2o1
InChIInChI=1S/C15H21NO/c1-15(2,3)14(16)9-8-12-10-11-6-4-5-7-13(11)17-12/h4-7,10,14H,8-9,16H2,1-3H3
InChIKeyCVRDXGYGNYPLDO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.74
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine

1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine (PubChem CID 114733291) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
PubChem CID114733291
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCc1cc2ccccc2o1
InChIInChI=1S/C15H21NO/c1-15(2,3)14(16)9-8-12-10-11-6-4-5-7-13(11)17-12/h4-7,10,14H,8-9,16H2,1-3H3
InChIKeyCVRDXGYGNYPLDO-UHFFFAOYSA-N
XLogP3.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzofuran-2-yl)butane-1,2-diol
CID 102166190
1-(1-benzofuran-2-yl)pentan-2-amine
CID 139946655
(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
CID 139947537
2-decyl-1-benzofuran
CID 15365265
1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317243
N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709
CID 156725408
CID 156725408
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea
CID 57051691
1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
CID 64614485
2-(1-benzofuran-2-yl)ethyl 4-tert-butylbenzoate
CID 23992796
1-[3-(1-benzofuran-2-yl)propyl]-4-methylpiperazine
CID 170864315

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine (CID 114733291) is 1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine is CC(C)(C)C(N)CCc1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine?
The InChIKey is CVRDXGYGNYPLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)14(16)9-8-12-10-11-6-4-5-7-13(11)17-12/h4-7,10,14H,8-9,16H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine?
1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine has a molecular weight of 231.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 114733291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).