(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine

C17H17NO — CID 43149687

IUPAC(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C17H17NO/c1-11-7-9-13(10-8-11)16(18)17-12(2)14-5-3-4-6-15(14)19-17/h3-10,16H,18H2,1-2H3
InChIKeySJHIIHNTEIPFFD-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.10
Rot. Bonds2

About (3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine

(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine (PubChem CID 43149687) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine
PubChem CID43149687
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C17H17NO/c1-11-7-9-13(10-8-11)16(18)17-12(2)14-5-3-4-6-15(14)19-17/h3-10,16H,18H2,1-2H3
InChIKeySJHIIHNTEIPFFD-UHFFFAOYSA-N
XLogP4.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine
CID 43149692
(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 43505426
(1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine
CID 65197301
3-[amino-(3,5-dimethyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 63990555
(3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
CID 63640631
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine
CID 43505413
4-[amino-(5-chloro-3-methyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 62072398
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63549669
3-bromo-2-[1,2-dibromo-2-(4-methylphenyl)ethyl]chromen-4-one
CID 85435004
4-fluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43762928
3-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentane-2,4-dione
CID 71740268
(3,4-dichlorophenyl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63067697

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine (CID 43149687) is (3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine is Cc1ccc(C(N)c2oc3ccccc3c2C)cc1.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine?
The InChIKey is SJHIIHNTEIPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11-7-9-13(10-8-11)16(18)17-12(2)14-5-3-4-6-15(14)19-17/h3-10,16H,18H2,1-2H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine?
(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine is sourced from PubChem (CID 43149687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).