4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine

C19H31NO — CID 66361456

IUPAC4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(CC(C)C)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C19H31NO/c1-5-8-20-13-16(9-14(2)3)11-18-12-17-10-15(4)6-7-19(17)21-18/h6-7,10,14,16,18,20H,5,8-9,11-13H2,1-4H3
InChIKeySWZXADBPIQJKNC-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.35
Rot. Bonds8

About 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine

4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine (PubChem CID 66361456) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine
PubChem CID66361456
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(CC(C)C)CC1Cc2cc(C)ccc2O1
InChIInChI=1S/C19H31NO/c1-5-8-20-13-16(9-14(2)3)11-18-12-17-10-15(4)6-7-19(17)21-18/h6-7,10,14,16,18,20H,5,8-9,11-13H2,1-4H3
InChIKeySWZXADBPIQJKNC-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.35
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

3,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylbutan-1-amine
CID 83141199
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 66361453
4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
CID 66394102
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-2-amine
CID 66361974
3-[[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]hexan-1-ol
CID 106115486
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 66360046
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine
CID 66365394
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
CID 66360873
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
CID 66360465
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360254
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine?
The IUPAC name of 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine (CID 66361456) is 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine.
What is the SMILES notation for 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine?
The canonical SMILES for 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine is CCCNCC(CC(C)C)CC1Cc2cc(C)ccc2O1.
What is the InChIKey of 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine?
The InChIKey is SWZXADBPIQJKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-8-20-13-16(9-14(2)3)11-18-12-17-10-15(4)6-7-19(17)21-18/h6-7,10,14,16,18,20H,5,8-9,11-13H2,1-4H3.
What are the key properties of 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine?
4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine is sourced from PubChem (CID 66361456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).