(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine

C17H22N2O — CID 81405947

IUPAC(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCOc1ccc(C)cc1C(C)N[C@H](C)c1ccncc1
InChIInChI=1S/C17H22N2O/c1-12-5-6-17(20-4)16(11-12)14(3)19-13(2)15-7-9-18-10-8-15/h5-11,13-14,19H,1-4H3/t13-,14?/m1/s1
InChIKeyAUAASSGNXGEKAW-KWCCSABGSA-N
MW270.38 g/mol
LogP3.81
Rot. Bonds5

About (1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine

(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 81405947) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID81405947
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
SMILESCOc1ccc(C)cc1C(C)N[C@H](C)c1ccncc1
InChIInChI=1S/C17H22N2O/c1-12-5-6-17(20-4)16(11-12)14(3)19-13(2)15-7-9-18-10-8-15/h5-11,13-14,19H,1-4H3/t13-,14?/m1/s1
InChIKeyAUAASSGNXGEKAW-KWCCSABGSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81404842
4-methyl-2-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]phenol
CID 81405986
1-(2-methoxy-5-methylphenyl)-2-(1-pyridin-4-ylethylamino)ethanol
CID 60909056
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81371308
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81352935
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
(1S)-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344839
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
CID 43190608
1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 166237203
1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
CID 115889898
3-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678639

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine (CID 81405947) is (1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine is COc1ccc(C)cc1C(C)N[C@H](C)c1ccncc1.
What is the InChIKey of (1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is AUAASSGNXGEKAW-KWCCSABGSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-5-6-17(20-4)16(11-12)14(3)19-13(2)15-7-9-18-10-8-15/h5-11,13-14,19H,1-4H3/t13-,14?/m1/s1.
What are the key properties of (1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine?
(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81405947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).