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

C14H21IN2O — CID 18428438

IUPACN-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
SMILESCOc1ccc(CCNC2=NCCCC2)cc1.I
InChIInChI=1S/C14H20N2O.HI/c1-17-13-7-5-12(6-8-13)9-11-16-14-4-2-3-10-15-14;/h5-8H,2-4,9-11H2,1H3,(H,15,16);1H
InChIKeyBJFHEUVVDUPGGN-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.03
Rot. Bonds4

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

N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide (PubChem CID 18428438) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
PubChem CID18428438
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
SMILESCOc1ccc(CCNC2=NCCCC2)cc1.I
InChIInChI=1S/C14H20N2O.HI/c1-17-13-7-5-12(6-8-13)9-11-16-14-4-2-3-10-15-14;/h5-8H,2-4,9-11H2,1H3,(H,15,16);1H
InChIKeyBJFHEUVVDUPGGN-UHFFFAOYSA-N
XLogP3.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508323
N-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508443
N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901972
N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971833
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
N-[2-(3,5-difluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79508804
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 658531
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677310
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine
CID 82722149
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide (CID 18428438) is N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide is COc1ccc(CCNC2=NCCCC2)cc1.I.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide?
The InChIKey is BJFHEUVVDUPGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.HI/c1-17-13-7-5-12(6-8-13)9-11-16-14-4-2-3-10-15-14;/h5-8H,2-4,9-11H2,1H3,(H,15,16);1H.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide?
N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide has a molecular weight of 360.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide is sourced from PubChem (CID 18428438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).