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

C14H20N2O — CID 81370327

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOc1ccc([C@H](C)NC2=NCCCC2)cc1
InChIInChI=1S/C14H20N2O/c1-11(16-14-5-3-4-10-15-14)12-6-8-13(17-2)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyCQSLHHYNVDSQSF-NSHDSACASA-N
MW232.33 g/mol
LogP2.93
Rot. Bonds3

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

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 81370327) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID81370327
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCOc1ccc([C@H](C)NC2=NCCCC2)cc1
InChIInChI=1S/C14H20N2O/c1-11(16-14-5-3-4-10-15-14)12-6-8-13(17-2)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyCQSLHHYNVDSQSF-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

N-[(1R)-1-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81347228
N-[1-[4-(3-phenylpropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 13012151
N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 66242431
N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508036
N-(1-pyridin-3-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508337
N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428438
2-[1-(4-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136780121
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide
CID 125493248
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 81370327) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is COc1ccc([C@H](C)NC2=NCCCC2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is CQSLHHYNVDSQSF-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(16-14-5-3-4-10-15-14)12-6-8-13(17-2)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(1S)-1-(4-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-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 81370327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).