N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine

C19H23NO — CID 66362161

IUPACN-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine
SMILESCNC(CCC1Cc2cc(C)ccc2O1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-14-8-11-19-16(12-14)13-17(21-19)9-10-18(20-2)15-6-4-3-5-7-15/h3-8,11-12,17-18,20H,9-10,13H2,1-2H3
InChIKeyFBQZZSCHTHJRBH-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.04
Rot. Bonds5

About N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine

N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine (PubChem CID 66362161) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine
PubChem CID66362161
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine
SMILESCNC(CCC1Cc2cc(C)ccc2O1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-14-8-11-19-16(12-14)13-17(21-19)9-10-18(20-2)15-6-4-3-5-7-15/h3-8,11-12,17-18,20H,9-10,13H2,1-2H3
InChIKeyFBQZZSCHTHJRBH-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-3-amine
CID 66362736
1-cyclopropyl-N-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66391960
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
2-methyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-ol
CID 66391376
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
CID 66360873
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
CID 66360372
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308
1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine
CID 66361170
N-ethyl-2-methyl-6-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)hexan-3-amine
CID 66391958
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine?
The IUPAC name of N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine (CID 66362161) is N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine?
The canonical SMILES for N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine is CNC(CCC1Cc2cc(C)ccc2O1)c1ccccc1.
What is the InChIKey of N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine?
The InChIKey is FBQZZSCHTHJRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-8-11-19-16(12-14)13-17(21-19)9-10-18(20-2)15-6-4-3-5-7-15/h3-8,11-12,17-18,20H,9-10,13H2,1-2H3.
What are the key properties of N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine?
N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 66362161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).