(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine

C14H17NO2 — CID 43464444

IUPAC(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)o2)c(C)c1
InChIInChI=1S/C14H17NO2/c1-9-8-11(16-3)5-6-12(9)14(15)13-7-4-10(2)17-13/h4-8,14H,15H2,1-3H3
InChIKeyAXRGFNOFLCZNDY-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.95
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine

(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine (PubChem CID 43464444) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
PubChem CID43464444
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc(C)o2)c(C)c1
InChIInChI=1S/C14H17NO2/c1-9-8-11(16-3)5-6-12(9)14(15)13-7-4-10(2)17-13/h4-8,14H,15H2,1-3H3
InChIKeyAXRGFNOFLCZNDY-UHFFFAOYSA-N
XLogP2.95
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylfuran-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 79094304
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464484
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
CID 43561843

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine?
The IUPAC name of (4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine (CID 43464444) is (4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for (4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine is COc1ccc(C(N)c2ccc(C)o2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine?
The InChIKey is AXRGFNOFLCZNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-8-11(16-3)5-6-12(9)14(15)13-7-4-10(2)17-13/h4-8,14H,15H2,1-3H3.
What are the key properties of (4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine?
(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine has a molecular weight of 231.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 43464444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).