N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine

C16H17NO — CID 43426553

IUPACN-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCc1cccc(CNc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H17NO/c1-12-3-2-4-13(9-12)11-17-15-5-6-16-14(10-15)7-8-18-16/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyNALCXROKZWCKQS-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.54
Rot. Bonds3

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

N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43426553) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43426553
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCc1cccc(CNc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H17NO/c1-12-3-2-4-13(9-12)11-17-15-5-6-16-14(10-15)7-8-18-16/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyNALCXROKZWCKQS-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115526259
N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 61016912
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43804284
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 66408734

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 43426553) is N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is Cc1cccc(CNc2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is NALCXROKZWCKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-3-2-4-13(9-12)11-17-15-5-6-16-14(10-15)7-8-18-16/h2-6,9-10,17H,7-8,11H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 239.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43426553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).