4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine

C18H28N2O — CID 79117519

IUPAC4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(CC1Cc2ccccc2O1)C1CCC(N)CC1
InChIInChI=1S/C18H28N2O/c1-2-11-20(16-9-7-15(19)8-10-16)13-17-12-14-5-3-4-6-18(14)21-17/h3-6,15-17H,2,7-13,19H2,1H3
InChIKeyVWMRFZHFSFTVMT-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.97
Rot. Bonds5

About 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine

4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79117519) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79117519
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(CC1Cc2ccccc2O1)C1CCC(N)CC1
InChIInChI=1S/C18H28N2O/c1-2-11-20(16-9-7-15(19)8-10-16)13-17-12-14-5-3-4-6-18(14)21-17/h3-6,15-17H,2,7-13,19H2,1H3
InChIKeyVWMRFZHFSFTVMT-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
CID 66363424
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 66364981
N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine
CID 102875058
2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol
CID 102676518
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636121
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine
CID 66364972
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide
CID 146108503
4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121920

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine (CID 79117519) is 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine is CCCN(CC1Cc2ccccc2O1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is VWMRFZHFSFTVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-11-20(16-9-7-15(19)8-10-16)13-17-12-14-5-3-4-6-18(14)21-17/h3-6,15-17H,2,7-13,19H2,1H3.
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 288.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79117519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).