1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine

C15H18N2O — CID 65318126

IUPAC1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine
SMILESCOc1ccc(C(N)Cc2ccncc2)c(C)c1
InChIInChI=1S/C15H18N2O/c1-11-9-13(18-2)3-4-14(11)15(16)10-12-5-7-17-8-6-12/h3-9,15H,10,16H2,1-2H3
InChIKeyBEBCTTLKRHPFQT-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.64
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine

1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine (PubChem CID 65318126) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine
PubChem CID65318126
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine
SMILESCOc1ccc(C(N)Cc2ccncc2)c(C)c1
InChIInChI=1S/C15H18N2O/c1-11-9-13(18-2)3-4-14(11)15(16)10-12-5-7-17-8-6-12/h3-9,15H,10,16H2,1-2H3
InChIKeyBEBCTTLKRHPFQT-UHFFFAOYSA-N
XLogP2.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 62791571
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105115823
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093283
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943
N-ethyl-1-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105115672
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
CID 114874188

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine (CID 65318126) is 1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine is COc1ccc(C(N)Cc2ccncc2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine?
The InChIKey is BEBCTTLKRHPFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-9-13(18-2)3-4-14(11)15(16)10-12-5-7-17-8-6-12/h3-9,15H,10,16H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine?
1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 65318126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).