1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C17H19ClN2 — CID 105106966

IUPAC1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(CC1CCCc2ccccc21)c1ccncc1Cl
InChIInChI=1S/C17H19ClN2/c18-16-11-20-9-8-15(16)17(19)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7-9,11,13,17H,3,5-6,10,19H2
InChIKeyICDKJFQNEAOSCK-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.24
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 105106966) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID105106966
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(CC1CCCc2ccccc21)c1ccncc1Cl
InChIInChI=1S/C17H19ClN2/c18-16-11-20-9-8-15(16)17(19)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7-9,11,13,17H,3,5-6,10,19H2
InChIKeyICDKJFQNEAOSCK-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115812382
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)pyridin-3-amine
CID 63772799
1-(4-fluoro-2-methylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 81270071
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405354
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115813113
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105106898
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105107040
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
1-(5-bromothiophen-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105107044

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 105106966) is 1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is NC(CC1CCCc2ccccc21)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is ICDKJFQNEAOSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-16-11-20-9-8-15(16)17(19)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7-9,11,13,17H,3,5-6,10,19H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 286.81 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 105106966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).