N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine

C15H18N2O — CID 43190608

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
SMILESCOc1ccc(C)cc1C(C)Nc1cccnc1
InChIInChI=1S/C15H18N2O/c1-11-6-7-15(18-3)14(9-11)12(2)17-13-5-4-8-16-10-13/h4-10,12,17H,1-3H3
InChIKeyMCYFEVVSJPJDRO-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine

N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine (PubChem CID 43190608) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
PubChem CID43190608
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
SMILESCOc1ccc(C)cc1C(C)Nc1cccnc1
InChIInChI=1S/C15H18N2O/c1-11-6-7-15(18-3)14(9-11)12(2)17-13-5-4-8-16-10-13/h4-10,12,17H,1-3H3
InChIKeyMCYFEVVSJPJDRO-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106054
3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678639
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616973
N-[4-[1-(2-methoxy-5-methylphenyl)ethylamino]phenyl]acetamide
CID 43824770
(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405947
(1S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81404842
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
(1S)-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344839
3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 107364338
1-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylthiourea
CID 17264293

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine (CID 43190608) is N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine is COc1ccc(C)cc1C(C)Nc1cccnc1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine?
The InChIKey is MCYFEVVSJPJDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-7-15(18-3)14(9-11)12(2)17-13-5-4-8-16-10-13/h4-10,12,17H,1-3H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine?
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine has a molecular weight of 242.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 43190608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).