6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine

C19H31NO — CID 66363664

IUPAC6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
SMILESCCCNC(CCCC1Cc2ccccc2O1)C(C)(C)C
InChIInChI=1S/C19H31NO/c1-5-13-20-18(19(2,3)4)12-8-10-16-14-15-9-6-7-11-17(15)21-16/h6-7,9,11,16,18,20H,5,8,10,12-14H2,1-4H3
InChIKeyBSRPZESCRXGPGT-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.57
Rot. Bonds7

About 6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine

6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine (PubChem CID 66363664) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
PubChem CID66363664
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
SMILESCCCNC(CCCC1Cc2ccccc2O1)C(C)(C)C
InChIInChI=1S/C19H31NO/c1-5-13-20-18(19(2,3)4)12-8-10-16-14-15-9-6-7-11-17(15)21-16/h6-7,9,11,16,18,20H,5,8,10,12-14H2,1-4H3
InChIKeyBSRPZESCRXGPGT-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine (CID 66363664) is 6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine is CCCNC(CCCC1Cc2ccccc2O1)C(C)(C)C.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine?
The InChIKey is BSRPZESCRXGPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-13-20-18(19(2,3)4)12-8-10-16-14-15-9-6-7-11-17(15)21-16/h6-7,9,11,16,18,20H,5,8,10,12-14H2,1-4H3.
What are the key properties of 6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine?
6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine has a molecular weight of 289.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine is sourced from PubChem (CID 66363664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).