N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

C14H20N2O — CID 81397062

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOc1ccccc1[C@H](C)NC1=NCCCC1
InChIInChI=1S/C14H20N2O/c1-11(16-14-9-5-6-10-15-14)12-7-3-4-8-13(12)17-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyUOVBUNUEXLMKIM-NSHDSACASA-N
MW232.33 g/mol
LogP2.93
Rot. Bonds3

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 81397062) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID81397062
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOc1ccccc1[C@H](C)NC1=NCCCC1
InChIInChI=1S/C14H20N2O/c1-11(16-14-9-5-6-10-15-14)12-7-3-4-8-13(12)17-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyUOVBUNUEXLMKIM-NSHDSACASA-N
XLogP2.93
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508912
3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(2,3,4,5-tetrahydropyridin-6-ylamino)propanoic acid
CID 22898628
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648720
N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732693
3-N-[1-(2-methoxyphenyl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707770
N-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine;N-[(1S)-1-phenyl-2-pyridin-4-ylethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 123416845
methyl 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-phenylacetate
CID 79508799
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 81397062) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is COc1ccccc1[C@H](C)NC1=NCCCC1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is UOVBUNUEXLMKIM-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(16-14-9-5-6-10-15-14)12-7-3-4-8-13(12)17-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 232.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 81397062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).